[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca/
commit: 391014de2542916def561381b42652c062839deb
Author: Christoph Junghans gentoo org>
AuthorDate: Fri Dec 17 03:07:39 2021 +
Commit: Christoph Junghans gentoo org>
CommitDate: Fri Dec 17 03:08:10 2021 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=391014de
sci-chemistry/votca: initial import
Package-Manager: Portage-3.0.28, Repoman-3.0.3
Signed-off-by: Christoph Junghans gentoo.org>
sci-chemistry/votca/Manifest | 1 +
sci-chemistry/votca/metadata.xml | 18
sci-chemistry/votca/votca-2022_rc2.ebuild | 70 +++
sci-chemistry/votca/votca-.ebuild | 70 +++
4 files changed, 159 insertions(+)
diff --git a/sci-chemistry/votca/Manifest b/sci-chemistry/votca/Manifest
new file mode 100644
index ..655f50c45cdc
--- /dev/null
+++ b/sci-chemistry/votca/Manifest
@@ -0,0 +1 @@
+DIST votca-2022_rc2.tar.gz 61692061 BLAKE2B
9fdf016267ff6657bfbbd51c79c2c38cb7064635d26e80b905eeeb8326ca1780f7a9c711802491f3ec7a216dbd53b86fe08da2c969a6a10db110168a02ac0d0f
SHA512
3bfd108df7499c21ad290955672ab042b9a11b7a868f0eb49fdbd94365e35ed7ffc8b8b44c9b7dd74b7504b8fd30cc6bacfed443068f2bb3702e272aad26c961
diff --git a/sci-chemistry/votca/metadata.xml b/sci-chemistry/votca/metadata.xml
new file mode 100644
index ..137114c8f259
--- /dev/null
+++ b/sci-chemistry/votca/metadata.xml
@@ -0,0 +1,18 @@
+
+https://www.gentoo.org/dtd/metadata.dtd";>
+
+
+ jungh...@gentoo.org
+ Christoph Junghans
+
+
+ sci-chemis...@gentoo.org
+ Gentoo Chemistry Project
+
+
+ Add support for gromacs file formats
through sci-chemistry/gromacs
+
+
+ votca/votca
+
+
diff --git a/sci-chemistry/votca/votca-2022_rc2.ebuild
b/sci-chemistry/votca/votca-2022_rc2.ebuild
new file mode 100644
index ..6a1ae090460b
--- /dev/null
+++ b/sci-chemistry/votca/votca-2022_rc2.ebuild
@@ -0,0 +1,70 @@
+# Copyright 1999-2021 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=7
+
+inherit bash-completion-r1 cmake
+
+if [[ ${PV} == * ]]; then
+ inherit git-r3
+ EGIT_REPO_URI="https://github.com/votca/votca.git";
+else
+ if [[ ${PV} = *_rc[1-9] ]]; then
+ MY_PV="${PV%%_rc*}-rc.${PV##*_rc}"
+ else
+ MY_PV="${PV}"
+ fi
+ SRC_URI="https://github.com/votca/votca/archive/v${MY_PV}.tar.gz ->
${P}.tar.gz"
+ KEYWORDS="~amd64 ~x86 ~amd64-linux"
+ S="${WORKDIR}/votca-${MY_PV}"
+fi
+
+DESCRIPTION="Versatile Object-oriented Toolkit for Coarse-graining
Applications"
+HOMEPAGE="https://www.votca.org/";
+
+LICENSE="Apache-2.0"
+SLOT="0"
+IUSE="+gromacs test"
+RESTRICT="!test? ( test )"
+
+RDEPEND="
+ !sci-libs/votca-tools
+ !sci-chemistry/votca-csg
+ !sci-chemistry/votca-xtp
+ app-shells/bash:*
+ >=dev-cpp/eigen-3.3
+ dev-libs/boost:=
+ dev-libs/expat
+ sci-libs/fftw:3.0=
+ dev-lang/perl
+ gromacs? ( sci-chemistry/gromacs:= )
+ sci-libs/hdf5[cxx]
+ sci-libs/libxc
+ sci-libs/libint:2
+"
+DEPEND="${RDEPEND}"
+BDEPEND="virtual/pkgconfig"
+
+DOCS=( README.rst NOTICE.rst CHANGELOG.rst )
+
+src_configure() {
+ local mycmakeargs=(
+ -DENABLE_TESTING=$(usex test)
+ -DCMAKE_DISABLE_FIND_PACKAGE_GROMACS=$(usex !gromacs)
+ -DBUILD_CSGAPPS=ON
+ -DINSTALL_RC_FILES=OFF
+ -DCMAKE_DISABLE_FIND_PACKAGE_MKL=ON
+ )
+ cmake_src_configure
+}
+
+pkg_postinst() {
+ einfo
+ einfo "Please read and cite:"
+ einfo "VOTCA-XTP, J. Chem. Theo. Comp. 14, 6353 (2018)"
+ einfo "https://doi.org/10.1021/acs.jctc.8b00617";
+ einfo
+ einfo "VOTCA, J. Chem. Theory Comput. 5, 3211 (2009). "
+ einfo "https://dx.doi.org/10.1021/ct900369w";
+ einfo
+}
diff --git a/sci-chemistry/votca/votca-.ebuild
b/sci-chemistry/votca/votca-.ebuild
new file mode 100644
index ..6a1ae090460b
--- /dev/null
+++ b/sci-chemistry/votca/votca-.ebuild
@@ -0,0 +1,70 @@
+# Copyright 1999-2021 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=7
+
+inherit bash-completion-r1 cmake
+
+if [[ ${PV} == * ]]; then
+ inherit git-r3
+ EGIT_REPO_URI="https://github.com/votca/votca.git";
+else
+ if [[ ${PV} = *_rc[1-9] ]]; then
+ MY_PV="${PV%%_rc*}-rc.${PV##*_rc}"
+ else
+ MY_PV="${PV}"
+ fi
+ SRC_URI="https://github.com/votca/votca/archive/v${MY_PV}.tar.gz ->
${P}.tar.gz"
+ KEYWORDS="~amd64 ~x86 ~amd64-linux"
+ S="${WORKDIR}/votca-${MY_PV}"
+fi
+
+DESCRIPTION="Versatile Object-oriented Toolkit for Coarse-graining
Applications"
+HOMEPAGE="https://www.votca.org/";
+
+LICENSE="Apache-2.0"
+SLOT="0
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca/
commit: 5cbfdbbdc1be3f2ae0c8b2fdc23488e1ee8c9025
Author: Christoph Junghans gentoo org>
AuthorDate: Sun Jan 16 03:01:55 2022 +
Commit: Christoph Junghans gentoo org>
CommitDate: Sun Jan 16 03:02:19 2022 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=5cbfdbbd
sci-chemistry/votca: version bump
Package-Manager: Portage-3.0.28, Repoman-3.0.3
Signed-off-by: Christoph Junghans gentoo.org>
sci-chemistry/votca/Manifest | 1 +
sci-chemistry/votca/votca-2022.ebuild | 70 +++
2 files changed, 71 insertions(+)
diff --git a/sci-chemistry/votca/Manifest b/sci-chemistry/votca/Manifest
index 655f50c45cdc..21dca30b58dd 100644
--- a/sci-chemistry/votca/Manifest
+++ b/sci-chemistry/votca/Manifest
@@ -1 +1,2 @@
+DIST votca-2022.tar.gz 61688862 BLAKE2B
a6a8d1c34e2cd992d032730b2669c9ac5489b988fc334f730eaf1a40b275cc2fad8b24f03419510fe9fee7b0ad0bedf43f9b22b44ca1ae0178b16c9b255da53c
SHA512
ea5b7405872a2c0c8d6b4b86148a605b5e83207f1953f0b7393dabbb106ac785c50b45462f6271fbfad04c0246704a92199943acc65eb30d7f1a0a6d6ee4ab83
DIST votca-2022_rc2.tar.gz 61692061 BLAKE2B
9fdf016267ff6657bfbbd51c79c2c38cb7064635d26e80b905eeeb8326ca1780f7a9c711802491f3ec7a216dbd53b86fe08da2c969a6a10db110168a02ac0d0f
SHA512
3bfd108df7499c21ad290955672ab042b9a11b7a868f0eb49fdbd94365e35ed7ffc8b8b44c9b7dd74b7504b8fd30cc6bacfed443068f2bb3702e272aad26c961
diff --git a/sci-chemistry/votca/votca-2022.ebuild
b/sci-chemistry/votca/votca-2022.ebuild
new file mode 100644
index ..f59f5347f3de
--- /dev/null
+++ b/sci-chemistry/votca/votca-2022.ebuild
@@ -0,0 +1,70 @@
+# Copyright 1999-2022 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=7
+
+inherit bash-completion-r1 cmake
+
+if [[ ${PV} == * ]]; then
+ inherit git-r3
+ EGIT_REPO_URI="https://github.com/votca/votca.git";
+else
+ if [[ ${PV} = *_rc[1-9] ]]; then
+ MY_PV="${PV%%_rc*}-rc.${PV##*_rc}"
+ else
+ MY_PV="${PV}"
+ fi
+ SRC_URI="https://github.com/votca/votca/archive/v${MY_PV}.tar.gz ->
${P}.tar.gz"
+ KEYWORDS="~amd64 ~x86 ~amd64-linux"
+ S="${WORKDIR}/votca-${MY_PV}"
+fi
+
+DESCRIPTION="Versatile Object-oriented Toolkit for Coarse-graining
Applications"
+HOMEPAGE="https://www.votca.org/";
+
+LICENSE="Apache-2.0"
+SLOT="0"
+IUSE="+gromacs test"
+RESTRICT="!test? ( test )"
+
+RDEPEND="
+ !sci-libs/votca-tools
+ !sci-chemistry/votca-csg
+ !sci-chemistry/votca-xtp
+ app-shells/bash:*
+ >=dev-cpp/eigen-3.3
+ dev-libs/boost:=
+ dev-libs/expat
+ sci-libs/fftw:3.0=
+ dev-lang/perl
+ gromacs? ( sci-chemistry/gromacs:= )
+ sci-libs/hdf5[cxx]
+ sci-libs/libxc
+ sci-libs/libint:2
+"
+DEPEND="${RDEPEND}"
+BDEPEND="virtual/pkgconfig"
+
+DOCS=( README.rst NOTICE.rst CHANGELOG.rst )
+
+src_configure() {
+ local mycmakeargs=(
+ -DENABLE_TESTING=$(usex test)
+ -DCMAKE_DISABLE_FIND_PACKAGE_GROMACS=$(usex !gromacs)
+ -DBUILD_CSGAPPS=ON
+ -DINSTALL_RC_FILES=OFF
+ -DCMAKE_DISABLE_FIND_PACKAGE_MKL=ON
+ )
+ cmake_src_configure
+}
+
+pkg_postinst() {
+ einfo
+ einfo "Please read and cite:"
+ einfo "VOTCA-XTP, J. Chem. Theo. Comp. 14, 6353 (2018)"
+ einfo "https://doi.org/10.1021/acs.jctc.8b00617";
+ einfo
+ einfo "VOTCA, J. Chem. Theory Comput. 5, 3211 (2009). "
+ einfo "https://dx.doi.org/10.1021/ct900369w";
+ einfo
+}
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca/
commit: 779099afac36901856782d1fd4dd69fa975e3f08 Author: Christoph Junghans gentoo org> AuthorDate: Sun Feb 20 14:57:51 2022 + Commit: Christoph Junghans gentoo org> CommitDate: Sun Feb 20 14:57:51 2022 + URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=779099af sci-chemistry/votca: fix deps Bug: https://bugs.gentoo.org/833793 Package-Manager: Portage-3.0.30, Repoman-3.0.3 Signed-off-by: Christoph Junghans gentoo.org> sci-chemistry/votca/votca-2022.ebuild | 2 +- sci-chemistry/votca/votca-.ebuild | 4 ++-- 2 files changed, 3 insertions(+), 3 deletions(-) diff --git a/sci-chemistry/votca/votca-2022.ebuild b/sci-chemistry/votca/votca-2022.ebuild index f59f5347f3de..a60728a6a6a9 100644 --- a/sci-chemistry/votca/votca-2022.ebuild +++ b/sci-chemistry/votca/votca-2022.ebuild @@ -37,7 +37,7 @@ RDEPEND=" dev-libs/expat sci-libs/fftw:3.0= dev-lang/perl - gromacs? ( sci-chemistry/gromacs:= ) + gromacs? ( sci-chemistry/gromacs:=[gmxapi-legacy(+)] ) sci-libs/hdf5[cxx] sci-libs/libxc sci-libs/libint:2 diff --git a/sci-chemistry/votca/votca-.ebuild b/sci-chemistry/votca/votca-.ebuild index 6a1ae090460b..a60728a6a6a9 100644 --- a/sci-chemistry/votca/votca-.ebuild +++ b/sci-chemistry/votca/votca-.ebuild @@ -1,4 +1,4 @@ -# Copyright 1999-2021 Gentoo Authors +# Copyright 1999-2022 Gentoo Authors # Distributed under the terms of the GNU General Public License v2 EAPI=7 @@ -37,7 +37,7 @@ RDEPEND=" dev-libs/expat sci-libs/fftw:3.0= dev-lang/perl - gromacs? ( sci-chemistry/gromacs:= ) + gromacs? ( sci-chemistry/gromacs:=[gmxapi-legacy(+)] ) sci-libs/hdf5[cxx] sci-libs/libxc sci-libs/libint:2
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca/
commit: 55dfd0a05bc6cda092e969ba5c80ae88d9ca2bf8
Author: Christoph Junghans gentoo org>
AuthorDate: Sun Feb 20 14:56:02 2022 +
Commit: Christoph Junghans gentoo org>
CommitDate: Sun Feb 20 14:56:02 2022 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=55dfd0a0
sci-chemistry/votca: remove old
Package-Manager: Portage-3.0.30, Repoman-3.0.3
Signed-off-by: Christoph Junghans gentoo.org>
sci-chemistry/votca/Manifest | 1 -
sci-chemistry/votca/votca-2022_rc2.ebuild | 70 ---
2 files changed, 71 deletions(-)
diff --git a/sci-chemistry/votca/Manifest b/sci-chemistry/votca/Manifest
index 21dca30b58dd..84be7c9f6881 100644
--- a/sci-chemistry/votca/Manifest
+++ b/sci-chemistry/votca/Manifest
@@ -1,2 +1 @@
DIST votca-2022.tar.gz 61688862 BLAKE2B
a6a8d1c34e2cd992d032730b2669c9ac5489b988fc334f730eaf1a40b275cc2fad8b24f03419510fe9fee7b0ad0bedf43f9b22b44ca1ae0178b16c9b255da53c
SHA512
ea5b7405872a2c0c8d6b4b86148a605b5e83207f1953f0b7393dabbb106ac785c50b45462f6271fbfad04c0246704a92199943acc65eb30d7f1a0a6d6ee4ab83
-DIST votca-2022_rc2.tar.gz 61692061 BLAKE2B
9fdf016267ff6657bfbbd51c79c2c38cb7064635d26e80b905eeeb8326ca1780f7a9c711802491f3ec7a216dbd53b86fe08da2c969a6a10db110168a02ac0d0f
SHA512
3bfd108df7499c21ad290955672ab042b9a11b7a868f0eb49fdbd94365e35ed7ffc8b8b44c9b7dd74b7504b8fd30cc6bacfed443068f2bb3702e272aad26c961
diff --git a/sci-chemistry/votca/votca-2022_rc2.ebuild
b/sci-chemistry/votca/votca-2022_rc2.ebuild
deleted file mode 100644
index 6a1ae090460b..
--- a/sci-chemistry/votca/votca-2022_rc2.ebuild
+++ /dev/null
@@ -1,70 +0,0 @@
-# Copyright 1999-2021 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=7
-
-inherit bash-completion-r1 cmake
-
-if [[ ${PV} == * ]]; then
- inherit git-r3
- EGIT_REPO_URI="https://github.com/votca/votca.git";
-else
- if [[ ${PV} = *_rc[1-9] ]]; then
- MY_PV="${PV%%_rc*}-rc.${PV##*_rc}"
- else
- MY_PV="${PV}"
- fi
- SRC_URI="https://github.com/votca/votca/archive/v${MY_PV}.tar.gz ->
${P}.tar.gz"
- KEYWORDS="~amd64 ~x86 ~amd64-linux"
- S="${WORKDIR}/votca-${MY_PV}"
-fi
-
-DESCRIPTION="Versatile Object-oriented Toolkit for Coarse-graining
Applications"
-HOMEPAGE="https://www.votca.org/";
-
-LICENSE="Apache-2.0"
-SLOT="0"
-IUSE="+gromacs test"
-RESTRICT="!test? ( test )"
-
-RDEPEND="
- !sci-libs/votca-tools
- !sci-chemistry/votca-csg
- !sci-chemistry/votca-xtp
- app-shells/bash:*
- >=dev-cpp/eigen-3.3
- dev-libs/boost:=
- dev-libs/expat
- sci-libs/fftw:3.0=
- dev-lang/perl
- gromacs? ( sci-chemistry/gromacs:= )
- sci-libs/hdf5[cxx]
- sci-libs/libxc
- sci-libs/libint:2
-"
-DEPEND="${RDEPEND}"
-BDEPEND="virtual/pkgconfig"
-
-DOCS=( README.rst NOTICE.rst CHANGELOG.rst )
-
-src_configure() {
- local mycmakeargs=(
- -DENABLE_TESTING=$(usex test)
- -DCMAKE_DISABLE_FIND_PACKAGE_GROMACS=$(usex !gromacs)
- -DBUILD_CSGAPPS=ON
- -DINSTALL_RC_FILES=OFF
- -DCMAKE_DISABLE_FIND_PACKAGE_MKL=ON
- )
- cmake_src_configure
-}
-
-pkg_postinst() {
- einfo
- einfo "Please read and cite:"
- einfo "VOTCA-XTP, J. Chem. Theo. Comp. 14, 6353 (2018)"
- einfo "https://doi.org/10.1021/acs.jctc.8b00617";
- einfo
- einfo "VOTCA, J. Chem. Theory Comput. 5, 3211 (2009). "
- einfo "https://dx.doi.org/10.1021/ct900369w";
- einfo
-}
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca/
commit: 24d49d50d85c465cabe555d7185fc9f1eed12a59
Author: Christoph Junghans gentoo org>
AuthorDate: Mon Feb 21 16:18:20 2022 +
Commit: Christoph Junghans gentoo org>
CommitDate: Mon Feb 21 16:18:36 2022 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=24d49d50
sci-chemistry/votca: fix python dep
Closes: https://bugs.gentoo.org/833818
Package-Manager: Portage-3.0.30, Repoman-3.0.3
Signed-off-by: Christoph Junghans gentoo.org>
sci-chemistry/votca/votca-2022.ebuild | 12 +++-
sci-chemistry/votca/votca-.ebuild | 12 +++-
2 files changed, 22 insertions(+), 2 deletions(-)
diff --git a/sci-chemistry/votca/votca-2022.ebuild
b/sci-chemistry/votca/votca-2022.ebuild
index a60728a6a6a9..0962e065f91d 100644
--- a/sci-chemistry/votca/votca-2022.ebuild
+++ b/sci-chemistry/votca/votca-2022.ebuild
@@ -2,8 +2,9 @@
# Distributed under the terms of the GNU General Public License v2
EAPI=7
+PYTHON_COMPAT=( python3_{8..10} )
-inherit bash-completion-r1 cmake
+inherit bash-completion-r1 cmake python-single-r1
if [[ ${PV} == * ]]; then
inherit git-r3
@@ -25,12 +26,14 @@ HOMEPAGE="https://www.votca.org/";
LICENSE="Apache-2.0"
SLOT="0"
IUSE="+gromacs test"
+REQUIRED_USE="${PYTHON_REQUIRED_USE}"
RESTRICT="!test? ( test )"
RDEPEND="
!sci-libs/votca-tools
!sci-chemistry/votca-csg
!sci-chemistry/votca-xtp
+ ${PYTHON_DEPS}
app-shells/bash:*
>=dev-cpp/eigen-3.3
dev-libs/boost:=
@@ -47,6 +50,13 @@ BDEPEND="virtual/pkgconfig"
DOCS=( README.rst NOTICE.rst CHANGELOG.rst )
+src_prepare() {
+ # espressopp was removed from gentoo
+ rm -r ./csg-tutorials/spce/ibi_espressopp || die
+ python_fix_shebang .
+ cmake_src_prepare
+}
+
src_configure() {
local mycmakeargs=(
-DENABLE_TESTING=$(usex test)
diff --git a/sci-chemistry/votca/votca-.ebuild
b/sci-chemistry/votca/votca-.ebuild
index a60728a6a6a9..0962e065f91d 100644
--- a/sci-chemistry/votca/votca-.ebuild
+++ b/sci-chemistry/votca/votca-.ebuild
@@ -2,8 +2,9 @@
# Distributed under the terms of the GNU General Public License v2
EAPI=7
+PYTHON_COMPAT=( python3_{8..10} )
-inherit bash-completion-r1 cmake
+inherit bash-completion-r1 cmake python-single-r1
if [[ ${PV} == * ]]; then
inherit git-r3
@@ -25,12 +26,14 @@ HOMEPAGE="https://www.votca.org/";
LICENSE="Apache-2.0"
SLOT="0"
IUSE="+gromacs test"
+REQUIRED_USE="${PYTHON_REQUIRED_USE}"
RESTRICT="!test? ( test )"
RDEPEND="
!sci-libs/votca-tools
!sci-chemistry/votca-csg
!sci-chemistry/votca-xtp
+ ${PYTHON_DEPS}
app-shells/bash:*
>=dev-cpp/eigen-3.3
dev-libs/boost:=
@@ -47,6 +50,13 @@ BDEPEND="virtual/pkgconfig"
DOCS=( README.rst NOTICE.rst CHANGELOG.rst )
+src_prepare() {
+ # espressopp was removed from gentoo
+ rm -r ./csg-tutorials/spce/ibi_espressopp || die
+ python_fix_shebang .
+ cmake_src_prepare
+}
+
src_configure() {
local mycmakeargs=(
-DENABLE_TESTING=$(usex test)
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca/
commit: a327e1218dc1322a781528d782ae1ec3e6cf7a46
Author: Agostino Sarubbo gentoo org>
AuthorDate: Sun Jun 12 12:20:45 2022 +
Commit: Agostino Sarubbo gentoo org>
CommitDate: Sun Jun 12 12:20:45 2022 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=a327e121
sci-chemistry/votca: amd64 stable wrt bug #846386
Package-Manager: Portage-3.0.30, Repoman-3.0.3
RepoMan-Options: --include-arches="amd64"
Signed-off-by: Agostino Sarubbo gentoo.org>
sci-chemistry/votca/votca-2022.ebuild | 2 +-
1 file changed, 1 insertion(+), 1 deletion(-)
diff --git a/sci-chemistry/votca/votca-2022.ebuild
b/sci-chemistry/votca/votca-2022.ebuild
index 0962e065f91d..dc82ac6b007f 100644
--- a/sci-chemistry/votca/votca-2022.ebuild
+++ b/sci-chemistry/votca/votca-2022.ebuild
@@ -16,7 +16,7 @@ else
MY_PV="${PV}"
fi
SRC_URI="https://github.com/votca/votca/archive/v${MY_PV}.tar.gz ->
${P}.tar.gz"
- KEYWORDS="~amd64 ~x86 ~amd64-linux"
+ KEYWORDS="amd64 ~x86 ~amd64-linux"
S="${WORKDIR}/votca-${MY_PV}"
fi
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca/
commit: 1b8ba90cd3f3ee864dbd90991c20ec607278065e
Author: Agostino Sarubbo gentoo org>
AuthorDate: Mon Jun 13 07:13:34 2022 +
Commit: Agostino Sarubbo gentoo org>
CommitDate: Mon Jun 13 07:13:34 2022 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=1b8ba90c
sci-chemistry/votca: x86 stable wrt bug #846386
Package-Manager: Portage-3.0.30, Repoman-3.0.3
RepoMan-Options: --include-arches="x86"
Signed-off-by: Agostino Sarubbo gentoo.org>
sci-chemistry/votca/votca-2022.ebuild | 2 +-
1 file changed, 1 insertion(+), 1 deletion(-)
diff --git a/sci-chemistry/votca/votca-2022.ebuild
b/sci-chemistry/votca/votca-2022.ebuild
index dc82ac6b007f..95c32eda807a 100644
--- a/sci-chemistry/votca/votca-2022.ebuild
+++ b/sci-chemistry/votca/votca-2022.ebuild
@@ -16,7 +16,7 @@ else
MY_PV="${PV}"
fi
SRC_URI="https://github.com/votca/votca/archive/v${MY_PV}.tar.gz ->
${P}.tar.gz"
- KEYWORDS="amd64 ~x86 ~amd64-linux"
+ KEYWORDS="amd64 x86 ~amd64-linux"
S="${WORKDIR}/votca-${MY_PV}"
fi
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca/
commit: 5cbfdbbdc1be3f2ae0c8b2fdc23488e1ee8c9025
Author: Christoph Junghans gentoo org>
AuthorDate: Sun Jan 16 03:01:55 2022 +
Commit: Christoph Junghans gentoo org>
CommitDate: Sun Jan 16 03:02:19 2022 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=5cbfdbbd
sci-chemistry/votca: version bump
Package-Manager: Portage-3.0.28, Repoman-3.0.3
Signed-off-by: Christoph Junghans gentoo.org>
sci-chemistry/votca/Manifest | 1 +
sci-chemistry/votca/votca-2022.ebuild | 70 +++
2 files changed, 71 insertions(+)
diff --git a/sci-chemistry/votca/Manifest b/sci-chemistry/votca/Manifest
index 655f50c45cdc..21dca30b58dd 100644
--- a/sci-chemistry/votca/Manifest
+++ b/sci-chemistry/votca/Manifest
@@ -1 +1,2 @@
+DIST votca-2022.tar.gz 61688862 BLAKE2B
a6a8d1c34e2cd992d032730b2669c9ac5489b988fc334f730eaf1a40b275cc2fad8b24f03419510fe9fee7b0ad0bedf43f9b22b44ca1ae0178b16c9b255da53c
SHA512
ea5b7405872a2c0c8d6b4b86148a605b5e83207f1953f0b7393dabbb106ac785c50b45462f6271fbfad04c0246704a92199943acc65eb30d7f1a0a6d6ee4ab83
DIST votca-2022_rc2.tar.gz 61692061 BLAKE2B
9fdf016267ff6657bfbbd51c79c2c38cb7064635d26e80b905eeeb8326ca1780f7a9c711802491f3ec7a216dbd53b86fe08da2c969a6a10db110168a02ac0d0f
SHA512
3bfd108df7499c21ad290955672ab042b9a11b7a868f0eb49fdbd94365e35ed7ffc8b8b44c9b7dd74b7504b8fd30cc6bacfed443068f2bb3702e272aad26c961
diff --git a/sci-chemistry/votca/votca-2022.ebuild
b/sci-chemistry/votca/votca-2022.ebuild
new file mode 100644
index ..f59f5347f3de
--- /dev/null
+++ b/sci-chemistry/votca/votca-2022.ebuild
@@ -0,0 +1,70 @@
+# Copyright 1999-2022 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=7
+
+inherit bash-completion-r1 cmake
+
+if [[ ${PV} == * ]]; then
+ inherit git-r3
+ EGIT_REPO_URI="https://github.com/votca/votca.git";
+else
+ if [[ ${PV} = *_rc[1-9] ]]; then
+ MY_PV="${PV%%_rc*}-rc.${PV##*_rc}"
+ else
+ MY_PV="${PV}"
+ fi
+ SRC_URI="https://github.com/votca/votca/archive/v${MY_PV}.tar.gz ->
${P}.tar.gz"
+ KEYWORDS="~amd64 ~x86 ~amd64-linux"
+ S="${WORKDIR}/votca-${MY_PV}"
+fi
+
+DESCRIPTION="Versatile Object-oriented Toolkit for Coarse-graining
Applications"
+HOMEPAGE="https://www.votca.org/";
+
+LICENSE="Apache-2.0"
+SLOT="0"
+IUSE="+gromacs test"
+RESTRICT="!test? ( test )"
+
+RDEPEND="
+ !sci-libs/votca-tools
+ !sci-chemistry/votca-csg
+ !sci-chemistry/votca-xtp
+ app-shells/bash:*
+ >=dev-cpp/eigen-3.3
+ dev-libs/boost:=
+ dev-libs/expat
+ sci-libs/fftw:3.0=
+ dev-lang/perl
+ gromacs? ( sci-chemistry/gromacs:= )
+ sci-libs/hdf5[cxx]
+ sci-libs/libxc
+ sci-libs/libint:2
+"
+DEPEND="${RDEPEND}"
+BDEPEND="virtual/pkgconfig"
+
+DOCS=( README.rst NOTICE.rst CHANGELOG.rst )
+
+src_configure() {
+ local mycmakeargs=(
+ -DENABLE_TESTING=$(usex test)
+ -DCMAKE_DISABLE_FIND_PACKAGE_GROMACS=$(usex !gromacs)
+ -DBUILD_CSGAPPS=ON
+ -DINSTALL_RC_FILES=OFF
+ -DCMAKE_DISABLE_FIND_PACKAGE_MKL=ON
+ )
+ cmake_src_configure
+}
+
+pkg_postinst() {
+ einfo
+ einfo "Please read and cite:"
+ einfo "VOTCA-XTP, J. Chem. Theo. Comp. 14, 6353 (2018)"
+ einfo "https://doi.org/10.1021/acs.jctc.8b00617";
+ einfo
+ einfo "VOTCA, J. Chem. Theory Comput. 5, 3211 (2009). "
+ einfo "https://dx.doi.org/10.1021/ct900369w";
+ einfo
+}
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca/
commit: 391014de2542916def561381b42652c062839deb
Author: Christoph Junghans gentoo org>
AuthorDate: Fri Dec 17 03:07:39 2021 +
Commit: Christoph Junghans gentoo org>
CommitDate: Fri Dec 17 03:08:10 2021 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=391014de
sci-chemistry/votca: initial import
Package-Manager: Portage-3.0.28, Repoman-3.0.3
Signed-off-by: Christoph Junghans gentoo.org>
sci-chemistry/votca/Manifest | 1 +
sci-chemistry/votca/metadata.xml | 18
sci-chemistry/votca/votca-2022_rc2.ebuild | 70 +++
sci-chemistry/votca/votca-.ebuild | 70 +++
4 files changed, 159 insertions(+)
diff --git a/sci-chemistry/votca/Manifest b/sci-chemistry/votca/Manifest
new file mode 100644
index ..655f50c45cdc
--- /dev/null
+++ b/sci-chemistry/votca/Manifest
@@ -0,0 +1 @@
+DIST votca-2022_rc2.tar.gz 61692061 BLAKE2B
9fdf016267ff6657bfbbd51c79c2c38cb7064635d26e80b905eeeb8326ca1780f7a9c711802491f3ec7a216dbd53b86fe08da2c969a6a10db110168a02ac0d0f
SHA512
3bfd108df7499c21ad290955672ab042b9a11b7a868f0eb49fdbd94365e35ed7ffc8b8b44c9b7dd74b7504b8fd30cc6bacfed443068f2bb3702e272aad26c961
diff --git a/sci-chemistry/votca/metadata.xml b/sci-chemistry/votca/metadata.xml
new file mode 100644
index ..137114c8f259
--- /dev/null
+++ b/sci-chemistry/votca/metadata.xml
@@ -0,0 +1,18 @@
+
+https://www.gentoo.org/dtd/metadata.dtd";>
+
+
+ jungh...@gentoo.org
+ Christoph Junghans
+
+
+ sci-chemis...@gentoo.org
+ Gentoo Chemistry Project
+
+
+ Add support for gromacs file formats
through sci-chemistry/gromacs
+
+
+ votca/votca
+
+
diff --git a/sci-chemistry/votca/votca-2022_rc2.ebuild
b/sci-chemistry/votca/votca-2022_rc2.ebuild
new file mode 100644
index ..6a1ae090460b
--- /dev/null
+++ b/sci-chemistry/votca/votca-2022_rc2.ebuild
@@ -0,0 +1,70 @@
+# Copyright 1999-2021 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=7
+
+inherit bash-completion-r1 cmake
+
+if [[ ${PV} == * ]]; then
+ inherit git-r3
+ EGIT_REPO_URI="https://github.com/votca/votca.git";
+else
+ if [[ ${PV} = *_rc[1-9] ]]; then
+ MY_PV="${PV%%_rc*}-rc.${PV##*_rc}"
+ else
+ MY_PV="${PV}"
+ fi
+ SRC_URI="https://github.com/votca/votca/archive/v${MY_PV}.tar.gz ->
${P}.tar.gz"
+ KEYWORDS="~amd64 ~x86 ~amd64-linux"
+ S="${WORKDIR}/votca-${MY_PV}"
+fi
+
+DESCRIPTION="Versatile Object-oriented Toolkit for Coarse-graining
Applications"
+HOMEPAGE="https://www.votca.org/";
+
+LICENSE="Apache-2.0"
+SLOT="0"
+IUSE="+gromacs test"
+RESTRICT="!test? ( test )"
+
+RDEPEND="
+ !sci-libs/votca-tools
+ !sci-chemistry/votca-csg
+ !sci-chemistry/votca-xtp
+ app-shells/bash:*
+ >=dev-cpp/eigen-3.3
+ dev-libs/boost:=
+ dev-libs/expat
+ sci-libs/fftw:3.0=
+ dev-lang/perl
+ gromacs? ( sci-chemistry/gromacs:= )
+ sci-libs/hdf5[cxx]
+ sci-libs/libxc
+ sci-libs/libint:2
+"
+DEPEND="${RDEPEND}"
+BDEPEND="virtual/pkgconfig"
+
+DOCS=( README.rst NOTICE.rst CHANGELOG.rst )
+
+src_configure() {
+ local mycmakeargs=(
+ -DENABLE_TESTING=$(usex test)
+ -DCMAKE_DISABLE_FIND_PACKAGE_GROMACS=$(usex !gromacs)
+ -DBUILD_CSGAPPS=ON
+ -DINSTALL_RC_FILES=OFF
+ -DCMAKE_DISABLE_FIND_PACKAGE_MKL=ON
+ )
+ cmake_src_configure
+}
+
+pkg_postinst() {
+ einfo
+ einfo "Please read and cite:"
+ einfo "VOTCA-XTP, J. Chem. Theo. Comp. 14, 6353 (2018)"
+ einfo "https://doi.org/10.1021/acs.jctc.8b00617";
+ einfo
+ einfo "VOTCA, J. Chem. Theory Comput. 5, 3211 (2009). "
+ einfo "https://dx.doi.org/10.1021/ct900369w";
+ einfo
+}
diff --git a/sci-chemistry/votca/votca-.ebuild
b/sci-chemistry/votca/votca-.ebuild
new file mode 100644
index ..6a1ae090460b
--- /dev/null
+++ b/sci-chemistry/votca/votca-.ebuild
@@ -0,0 +1,70 @@
+# Copyright 1999-2021 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=7
+
+inherit bash-completion-r1 cmake
+
+if [[ ${PV} == * ]]; then
+ inherit git-r3
+ EGIT_REPO_URI="https://github.com/votca/votca.git";
+else
+ if [[ ${PV} = *_rc[1-9] ]]; then
+ MY_PV="${PV%%_rc*}-rc.${PV##*_rc}"
+ else
+ MY_PV="${PV}"
+ fi
+ SRC_URI="https://github.com/votca/votca/archive/v${MY_PV}.tar.gz ->
${P}.tar.gz"
+ KEYWORDS="~amd64 ~x86 ~amd64-linux"
+ S="${WORKDIR}/votca-${MY_PV}"
+fi
+
+DESCRIPTION="Versatile Object-oriented Toolkit for Coarse-graining
Applications"
+HOMEPAGE="https://www.votca.org/";
+
+LICENSE="Apache-2.0"
+SLOT="0
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca/
commit: a327e1218dc1322a781528d782ae1ec3e6cf7a46
Author: Agostino Sarubbo gentoo org>
AuthorDate: Sun Jun 12 12:20:45 2022 +
Commit: Agostino Sarubbo gentoo org>
CommitDate: Sun Jun 12 12:20:45 2022 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=a327e121
sci-chemistry/votca: amd64 stable wrt bug #846386
Package-Manager: Portage-3.0.30, Repoman-3.0.3
RepoMan-Options: --include-arches="amd64"
Signed-off-by: Agostino Sarubbo gentoo.org>
sci-chemistry/votca/votca-2022.ebuild | 2 +-
1 file changed, 1 insertion(+), 1 deletion(-)
diff --git a/sci-chemistry/votca/votca-2022.ebuild
b/sci-chemistry/votca/votca-2022.ebuild
index 0962e065f91d..dc82ac6b007f 100644
--- a/sci-chemistry/votca/votca-2022.ebuild
+++ b/sci-chemistry/votca/votca-2022.ebuild
@@ -16,7 +16,7 @@ else
MY_PV="${PV}"
fi
SRC_URI="https://github.com/votca/votca/archive/v${MY_PV}.tar.gz ->
${P}.tar.gz"
- KEYWORDS="~amd64 ~x86 ~amd64-linux"
+ KEYWORDS="amd64 ~x86 ~amd64-linux"
S="${WORKDIR}/votca-${MY_PV}"
fi
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca/
commit: 1b8ba90cd3f3ee864dbd90991c20ec607278065e
Author: Agostino Sarubbo gentoo org>
AuthorDate: Mon Jun 13 07:13:34 2022 +
Commit: Agostino Sarubbo gentoo org>
CommitDate: Mon Jun 13 07:13:34 2022 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=1b8ba90c
sci-chemistry/votca: x86 stable wrt bug #846386
Package-Manager: Portage-3.0.30, Repoman-3.0.3
RepoMan-Options: --include-arches="x86"
Signed-off-by: Agostino Sarubbo gentoo.org>
sci-chemistry/votca/votca-2022.ebuild | 2 +-
1 file changed, 1 insertion(+), 1 deletion(-)
diff --git a/sci-chemistry/votca/votca-2022.ebuild
b/sci-chemistry/votca/votca-2022.ebuild
index dc82ac6b007f..95c32eda807a 100644
--- a/sci-chemistry/votca/votca-2022.ebuild
+++ b/sci-chemistry/votca/votca-2022.ebuild
@@ -16,7 +16,7 @@ else
MY_PV="${PV}"
fi
SRC_URI="https://github.com/votca/votca/archive/v${MY_PV}.tar.gz ->
${P}.tar.gz"
- KEYWORDS="amd64 ~x86 ~amd64-linux"
+ KEYWORDS="amd64 x86 ~amd64-linux"
S="${WORKDIR}/votca-${MY_PV}"
fi
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca/
commit: 391014de2542916def561381b42652c062839deb
Author: Christoph Junghans gentoo org>
AuthorDate: Fri Dec 17 03:07:39 2021 +
Commit: Christoph Junghans gentoo org>
CommitDate: Fri Dec 17 03:08:10 2021 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=391014de
sci-chemistry/votca: initial import
Package-Manager: Portage-3.0.28, Repoman-3.0.3
Signed-off-by: Christoph Junghans gentoo.org>
sci-chemistry/votca/Manifest | 1 +
sci-chemistry/votca/metadata.xml | 18
sci-chemistry/votca/votca-2022_rc2.ebuild | 70 +++
sci-chemistry/votca/votca-.ebuild | 70 +++
4 files changed, 159 insertions(+)
diff --git a/sci-chemistry/votca/Manifest b/sci-chemistry/votca/Manifest
new file mode 100644
index ..655f50c45cdc
--- /dev/null
+++ b/sci-chemistry/votca/Manifest
@@ -0,0 +1 @@
+DIST votca-2022_rc2.tar.gz 61692061 BLAKE2B
9fdf016267ff6657bfbbd51c79c2c38cb7064635d26e80b905eeeb8326ca1780f7a9c711802491f3ec7a216dbd53b86fe08da2c969a6a10db110168a02ac0d0f
SHA512
3bfd108df7499c21ad290955672ab042b9a11b7a868f0eb49fdbd94365e35ed7ffc8b8b44c9b7dd74b7504b8fd30cc6bacfed443068f2bb3702e272aad26c961
diff --git a/sci-chemistry/votca/metadata.xml b/sci-chemistry/votca/metadata.xml
new file mode 100644
index ..137114c8f259
--- /dev/null
+++ b/sci-chemistry/votca/metadata.xml
@@ -0,0 +1,18 @@
+
+https://www.gentoo.org/dtd/metadata.dtd";>
+
+
+ jungh...@gentoo.org
+ Christoph Junghans
+
+
+ sci-chemis...@gentoo.org
+ Gentoo Chemistry Project
+
+
+ Add support for gromacs file formats
through sci-chemistry/gromacs
+
+
+ votca/votca
+
+
diff --git a/sci-chemistry/votca/votca-2022_rc2.ebuild
b/sci-chemistry/votca/votca-2022_rc2.ebuild
new file mode 100644
index ..6a1ae090460b
--- /dev/null
+++ b/sci-chemistry/votca/votca-2022_rc2.ebuild
@@ -0,0 +1,70 @@
+# Copyright 1999-2021 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=7
+
+inherit bash-completion-r1 cmake
+
+if [[ ${PV} == * ]]; then
+ inherit git-r3
+ EGIT_REPO_URI="https://github.com/votca/votca.git";
+else
+ if [[ ${PV} = *_rc[1-9] ]]; then
+ MY_PV="${PV%%_rc*}-rc.${PV##*_rc}"
+ else
+ MY_PV="${PV}"
+ fi
+ SRC_URI="https://github.com/votca/votca/archive/v${MY_PV}.tar.gz ->
${P}.tar.gz"
+ KEYWORDS="~amd64 ~x86 ~amd64-linux"
+ S="${WORKDIR}/votca-${MY_PV}"
+fi
+
+DESCRIPTION="Versatile Object-oriented Toolkit for Coarse-graining
Applications"
+HOMEPAGE="https://www.votca.org/";
+
+LICENSE="Apache-2.0"
+SLOT="0"
+IUSE="+gromacs test"
+RESTRICT="!test? ( test )"
+
+RDEPEND="
+ !sci-libs/votca-tools
+ !sci-chemistry/votca-csg
+ !sci-chemistry/votca-xtp
+ app-shells/bash:*
+ >=dev-cpp/eigen-3.3
+ dev-libs/boost:=
+ dev-libs/expat
+ sci-libs/fftw:3.0=
+ dev-lang/perl
+ gromacs? ( sci-chemistry/gromacs:= )
+ sci-libs/hdf5[cxx]
+ sci-libs/libxc
+ sci-libs/libint:2
+"
+DEPEND="${RDEPEND}"
+BDEPEND="virtual/pkgconfig"
+
+DOCS=( README.rst NOTICE.rst CHANGELOG.rst )
+
+src_configure() {
+ local mycmakeargs=(
+ -DENABLE_TESTING=$(usex test)
+ -DCMAKE_DISABLE_FIND_PACKAGE_GROMACS=$(usex !gromacs)
+ -DBUILD_CSGAPPS=ON
+ -DINSTALL_RC_FILES=OFF
+ -DCMAKE_DISABLE_FIND_PACKAGE_MKL=ON
+ )
+ cmake_src_configure
+}
+
+pkg_postinst() {
+ einfo
+ einfo "Please read and cite:"
+ einfo "VOTCA-XTP, J. Chem. Theo. Comp. 14, 6353 (2018)"
+ einfo "https://doi.org/10.1021/acs.jctc.8b00617";
+ einfo
+ einfo "VOTCA, J. Chem. Theory Comput. 5, 3211 (2009). "
+ einfo "https://dx.doi.org/10.1021/ct900369w";
+ einfo
+}
diff --git a/sci-chemistry/votca/votca-.ebuild
b/sci-chemistry/votca/votca-.ebuild
new file mode 100644
index ..6a1ae090460b
--- /dev/null
+++ b/sci-chemistry/votca/votca-.ebuild
@@ -0,0 +1,70 @@
+# Copyright 1999-2021 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=7
+
+inherit bash-completion-r1 cmake
+
+if [[ ${PV} == * ]]; then
+ inherit git-r3
+ EGIT_REPO_URI="https://github.com/votca/votca.git";
+else
+ if [[ ${PV} = *_rc[1-9] ]]; then
+ MY_PV="${PV%%_rc*}-rc.${PV##*_rc}"
+ else
+ MY_PV="${PV}"
+ fi
+ SRC_URI="https://github.com/votca/votca/archive/v${MY_PV}.tar.gz ->
${P}.tar.gz"
+ KEYWORDS="~amd64 ~x86 ~amd64-linux"
+ S="${WORKDIR}/votca-${MY_PV}"
+fi
+
+DESCRIPTION="Versatile Object-oriented Toolkit for Coarse-graining
Applications"
+HOMEPAGE="https://www.votca.org/";
+
+LICENSE="Apache-2.0"
+SLOT="0
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca/
commit: a327e1218dc1322a781528d782ae1ec3e6cf7a46
Author: Agostino Sarubbo gentoo org>
AuthorDate: Sun Jun 12 12:20:45 2022 +
Commit: Agostino Sarubbo gentoo org>
CommitDate: Sun Jun 12 12:20:45 2022 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=a327e121
sci-chemistry/votca: amd64 stable wrt bug #846386
Package-Manager: Portage-3.0.30, Repoman-3.0.3
RepoMan-Options: --include-arches="amd64"
Signed-off-by: Agostino Sarubbo gentoo.org>
sci-chemistry/votca/votca-2022.ebuild | 2 +-
1 file changed, 1 insertion(+), 1 deletion(-)
diff --git a/sci-chemistry/votca/votca-2022.ebuild
b/sci-chemistry/votca/votca-2022.ebuild
index 0962e065f91d..dc82ac6b007f 100644
--- a/sci-chemistry/votca/votca-2022.ebuild
+++ b/sci-chemistry/votca/votca-2022.ebuild
@@ -16,7 +16,7 @@ else
MY_PV="${PV}"
fi
SRC_URI="https://github.com/votca/votca/archive/v${MY_PV}.tar.gz ->
${P}.tar.gz"
- KEYWORDS="~amd64 ~x86 ~amd64-linux"
+ KEYWORDS="amd64 ~x86 ~amd64-linux"
S="${WORKDIR}/votca-${MY_PV}"
fi
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca/
commit: 1b8ba90cd3f3ee864dbd90991c20ec607278065e
Author: Agostino Sarubbo gentoo org>
AuthorDate: Mon Jun 13 07:13:34 2022 +
Commit: Agostino Sarubbo gentoo org>
CommitDate: Mon Jun 13 07:13:34 2022 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=1b8ba90c
sci-chemistry/votca: x86 stable wrt bug #846386
Package-Manager: Portage-3.0.30, Repoman-3.0.3
RepoMan-Options: --include-arches="x86"
Signed-off-by: Agostino Sarubbo gentoo.org>
sci-chemistry/votca/votca-2022.ebuild | 2 +-
1 file changed, 1 insertion(+), 1 deletion(-)
diff --git a/sci-chemistry/votca/votca-2022.ebuild
b/sci-chemistry/votca/votca-2022.ebuild
index dc82ac6b007f..95c32eda807a 100644
--- a/sci-chemistry/votca/votca-2022.ebuild
+++ b/sci-chemistry/votca/votca-2022.ebuild
@@ -16,7 +16,7 @@ else
MY_PV="${PV}"
fi
SRC_URI="https://github.com/votca/votca/archive/v${MY_PV}.tar.gz ->
${P}.tar.gz"
- KEYWORDS="amd64 ~x86 ~amd64-linux"
+ KEYWORDS="amd64 x86 ~amd64-linux"
S="${WORKDIR}/votca-${MY_PV}"
fi
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca/
commit: 5cbfdbbdc1be3f2ae0c8b2fdc23488e1ee8c9025
Author: Christoph Junghans gentoo org>
AuthorDate: Sun Jan 16 03:01:55 2022 +
Commit: Christoph Junghans gentoo org>
CommitDate: Sun Jan 16 03:02:19 2022 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=5cbfdbbd
sci-chemistry/votca: version bump
Package-Manager: Portage-3.0.28, Repoman-3.0.3
Signed-off-by: Christoph Junghans gentoo.org>
sci-chemistry/votca/Manifest | 1 +
sci-chemistry/votca/votca-2022.ebuild | 70 +++
2 files changed, 71 insertions(+)
diff --git a/sci-chemistry/votca/Manifest b/sci-chemistry/votca/Manifest
index 655f50c45cdc..21dca30b58dd 100644
--- a/sci-chemistry/votca/Manifest
+++ b/sci-chemistry/votca/Manifest
@@ -1 +1,2 @@
+DIST votca-2022.tar.gz 61688862 BLAKE2B
a6a8d1c34e2cd992d032730b2669c9ac5489b988fc334f730eaf1a40b275cc2fad8b24f03419510fe9fee7b0ad0bedf43f9b22b44ca1ae0178b16c9b255da53c
SHA512
ea5b7405872a2c0c8d6b4b86148a605b5e83207f1953f0b7393dabbb106ac785c50b45462f6271fbfad04c0246704a92199943acc65eb30d7f1a0a6d6ee4ab83
DIST votca-2022_rc2.tar.gz 61692061 BLAKE2B
9fdf016267ff6657bfbbd51c79c2c38cb7064635d26e80b905eeeb8326ca1780f7a9c711802491f3ec7a216dbd53b86fe08da2c969a6a10db110168a02ac0d0f
SHA512
3bfd108df7499c21ad290955672ab042b9a11b7a868f0eb49fdbd94365e35ed7ffc8b8b44c9b7dd74b7504b8fd30cc6bacfed443068f2bb3702e272aad26c961
diff --git a/sci-chemistry/votca/votca-2022.ebuild
b/sci-chemistry/votca/votca-2022.ebuild
new file mode 100644
index ..f59f5347f3de
--- /dev/null
+++ b/sci-chemistry/votca/votca-2022.ebuild
@@ -0,0 +1,70 @@
+# Copyright 1999-2022 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=7
+
+inherit bash-completion-r1 cmake
+
+if [[ ${PV} == * ]]; then
+ inherit git-r3
+ EGIT_REPO_URI="https://github.com/votca/votca.git";
+else
+ if [[ ${PV} = *_rc[1-9] ]]; then
+ MY_PV="${PV%%_rc*}-rc.${PV##*_rc}"
+ else
+ MY_PV="${PV}"
+ fi
+ SRC_URI="https://github.com/votca/votca/archive/v${MY_PV}.tar.gz ->
${P}.tar.gz"
+ KEYWORDS="~amd64 ~x86 ~amd64-linux"
+ S="${WORKDIR}/votca-${MY_PV}"
+fi
+
+DESCRIPTION="Versatile Object-oriented Toolkit for Coarse-graining
Applications"
+HOMEPAGE="https://www.votca.org/";
+
+LICENSE="Apache-2.0"
+SLOT="0"
+IUSE="+gromacs test"
+RESTRICT="!test? ( test )"
+
+RDEPEND="
+ !sci-libs/votca-tools
+ !sci-chemistry/votca-csg
+ !sci-chemistry/votca-xtp
+ app-shells/bash:*
+ >=dev-cpp/eigen-3.3
+ dev-libs/boost:=
+ dev-libs/expat
+ sci-libs/fftw:3.0=
+ dev-lang/perl
+ gromacs? ( sci-chemistry/gromacs:= )
+ sci-libs/hdf5[cxx]
+ sci-libs/libxc
+ sci-libs/libint:2
+"
+DEPEND="${RDEPEND}"
+BDEPEND="virtual/pkgconfig"
+
+DOCS=( README.rst NOTICE.rst CHANGELOG.rst )
+
+src_configure() {
+ local mycmakeargs=(
+ -DENABLE_TESTING=$(usex test)
+ -DCMAKE_DISABLE_FIND_PACKAGE_GROMACS=$(usex !gromacs)
+ -DBUILD_CSGAPPS=ON
+ -DINSTALL_RC_FILES=OFF
+ -DCMAKE_DISABLE_FIND_PACKAGE_MKL=ON
+ )
+ cmake_src_configure
+}
+
+pkg_postinst() {
+ einfo
+ einfo "Please read and cite:"
+ einfo "VOTCA-XTP, J. Chem. Theo. Comp. 14, 6353 (2018)"
+ einfo "https://doi.org/10.1021/acs.jctc.8b00617";
+ einfo
+ einfo "VOTCA, J. Chem. Theory Comput. 5, 3211 (2009). "
+ einfo "https://dx.doi.org/10.1021/ct900369w";
+ einfo
+}
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca/
commit: 779099afac36901856782d1fd4dd69fa975e3f08 Author: Christoph Junghans gentoo org> AuthorDate: Sun Feb 20 14:57:51 2022 + Commit: Christoph Junghans gentoo org> CommitDate: Sun Feb 20 14:57:51 2022 + URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=779099af sci-chemistry/votca: fix deps Bug: https://bugs.gentoo.org/833793 Package-Manager: Portage-3.0.30, Repoman-3.0.3 Signed-off-by: Christoph Junghans gentoo.org> sci-chemistry/votca/votca-2022.ebuild | 2 +- sci-chemistry/votca/votca-.ebuild | 4 ++-- 2 files changed, 3 insertions(+), 3 deletions(-) diff --git a/sci-chemistry/votca/votca-2022.ebuild b/sci-chemistry/votca/votca-2022.ebuild index f59f5347f3de..a60728a6a6a9 100644 --- a/sci-chemistry/votca/votca-2022.ebuild +++ b/sci-chemistry/votca/votca-2022.ebuild @@ -37,7 +37,7 @@ RDEPEND=" dev-libs/expat sci-libs/fftw:3.0= dev-lang/perl - gromacs? ( sci-chemistry/gromacs:= ) + gromacs? ( sci-chemistry/gromacs:=[gmxapi-legacy(+)] ) sci-libs/hdf5[cxx] sci-libs/libxc sci-libs/libint:2 diff --git a/sci-chemistry/votca/votca-.ebuild b/sci-chemistry/votca/votca-.ebuild index 6a1ae090460b..a60728a6a6a9 100644 --- a/sci-chemistry/votca/votca-.ebuild +++ b/sci-chemistry/votca/votca-.ebuild @@ -1,4 +1,4 @@ -# Copyright 1999-2021 Gentoo Authors +# Copyright 1999-2022 Gentoo Authors # Distributed under the terms of the GNU General Public License v2 EAPI=7 @@ -37,7 +37,7 @@ RDEPEND=" dev-libs/expat sci-libs/fftw:3.0= dev-lang/perl - gromacs? ( sci-chemistry/gromacs:= ) + gromacs? ( sci-chemistry/gromacs:=[gmxapi-legacy(+)] ) sci-libs/hdf5[cxx] sci-libs/libxc sci-libs/libint:2
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca/
commit: 55dfd0a05bc6cda092e969ba5c80ae88d9ca2bf8
Author: Christoph Junghans gentoo org>
AuthorDate: Sun Feb 20 14:56:02 2022 +
Commit: Christoph Junghans gentoo org>
CommitDate: Sun Feb 20 14:56:02 2022 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=55dfd0a0
sci-chemistry/votca: remove old
Package-Manager: Portage-3.0.30, Repoman-3.0.3
Signed-off-by: Christoph Junghans gentoo.org>
sci-chemistry/votca/Manifest | 1 -
sci-chemistry/votca/votca-2022_rc2.ebuild | 70 ---
2 files changed, 71 deletions(-)
diff --git a/sci-chemistry/votca/Manifest b/sci-chemistry/votca/Manifest
index 21dca30b58dd..84be7c9f6881 100644
--- a/sci-chemistry/votca/Manifest
+++ b/sci-chemistry/votca/Manifest
@@ -1,2 +1 @@
DIST votca-2022.tar.gz 61688862 BLAKE2B
a6a8d1c34e2cd992d032730b2669c9ac5489b988fc334f730eaf1a40b275cc2fad8b24f03419510fe9fee7b0ad0bedf43f9b22b44ca1ae0178b16c9b255da53c
SHA512
ea5b7405872a2c0c8d6b4b86148a605b5e83207f1953f0b7393dabbb106ac785c50b45462f6271fbfad04c0246704a92199943acc65eb30d7f1a0a6d6ee4ab83
-DIST votca-2022_rc2.tar.gz 61692061 BLAKE2B
9fdf016267ff6657bfbbd51c79c2c38cb7064635d26e80b905eeeb8326ca1780f7a9c711802491f3ec7a216dbd53b86fe08da2c969a6a10db110168a02ac0d0f
SHA512
3bfd108df7499c21ad290955672ab042b9a11b7a868f0eb49fdbd94365e35ed7ffc8b8b44c9b7dd74b7504b8fd30cc6bacfed443068f2bb3702e272aad26c961
diff --git a/sci-chemistry/votca/votca-2022_rc2.ebuild
b/sci-chemistry/votca/votca-2022_rc2.ebuild
deleted file mode 100644
index 6a1ae090460b..
--- a/sci-chemistry/votca/votca-2022_rc2.ebuild
+++ /dev/null
@@ -1,70 +0,0 @@
-# Copyright 1999-2021 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=7
-
-inherit bash-completion-r1 cmake
-
-if [[ ${PV} == * ]]; then
- inherit git-r3
- EGIT_REPO_URI="https://github.com/votca/votca.git";
-else
- if [[ ${PV} = *_rc[1-9] ]]; then
- MY_PV="${PV%%_rc*}-rc.${PV##*_rc}"
- else
- MY_PV="${PV}"
- fi
- SRC_URI="https://github.com/votca/votca/archive/v${MY_PV}.tar.gz ->
${P}.tar.gz"
- KEYWORDS="~amd64 ~x86 ~amd64-linux"
- S="${WORKDIR}/votca-${MY_PV}"
-fi
-
-DESCRIPTION="Versatile Object-oriented Toolkit for Coarse-graining
Applications"
-HOMEPAGE="https://www.votca.org/";
-
-LICENSE="Apache-2.0"
-SLOT="0"
-IUSE="+gromacs test"
-RESTRICT="!test? ( test )"
-
-RDEPEND="
- !sci-libs/votca-tools
- !sci-chemistry/votca-csg
- !sci-chemistry/votca-xtp
- app-shells/bash:*
- >=dev-cpp/eigen-3.3
- dev-libs/boost:=
- dev-libs/expat
- sci-libs/fftw:3.0=
- dev-lang/perl
- gromacs? ( sci-chemistry/gromacs:= )
- sci-libs/hdf5[cxx]
- sci-libs/libxc
- sci-libs/libint:2
-"
-DEPEND="${RDEPEND}"
-BDEPEND="virtual/pkgconfig"
-
-DOCS=( README.rst NOTICE.rst CHANGELOG.rst )
-
-src_configure() {
- local mycmakeargs=(
- -DENABLE_TESTING=$(usex test)
- -DCMAKE_DISABLE_FIND_PACKAGE_GROMACS=$(usex !gromacs)
- -DBUILD_CSGAPPS=ON
- -DINSTALL_RC_FILES=OFF
- -DCMAKE_DISABLE_FIND_PACKAGE_MKL=ON
- )
- cmake_src_configure
-}
-
-pkg_postinst() {
- einfo
- einfo "Please read and cite:"
- einfo "VOTCA-XTP, J. Chem. Theo. Comp. 14, 6353 (2018)"
- einfo "https://doi.org/10.1021/acs.jctc.8b00617";
- einfo
- einfo "VOTCA, J. Chem. Theory Comput. 5, 3211 (2009). "
- einfo "https://dx.doi.org/10.1021/ct900369w";
- einfo
-}
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca/
commit: 24d49d50d85c465cabe555d7185fc9f1eed12a59
Author: Christoph Junghans gentoo org>
AuthorDate: Mon Feb 21 16:18:20 2022 +
Commit: Christoph Junghans gentoo org>
CommitDate: Mon Feb 21 16:18:36 2022 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=24d49d50
sci-chemistry/votca: fix python dep
Closes: https://bugs.gentoo.org/833818
Package-Manager: Portage-3.0.30, Repoman-3.0.3
Signed-off-by: Christoph Junghans gentoo.org>
sci-chemistry/votca/votca-2022.ebuild | 12 +++-
sci-chemistry/votca/votca-.ebuild | 12 +++-
2 files changed, 22 insertions(+), 2 deletions(-)
diff --git a/sci-chemistry/votca/votca-2022.ebuild
b/sci-chemistry/votca/votca-2022.ebuild
index a60728a6a6a9..0962e065f91d 100644
--- a/sci-chemistry/votca/votca-2022.ebuild
+++ b/sci-chemistry/votca/votca-2022.ebuild
@@ -2,8 +2,9 @@
# Distributed under the terms of the GNU General Public License v2
EAPI=7
+PYTHON_COMPAT=( python3_{8..10} )
-inherit bash-completion-r1 cmake
+inherit bash-completion-r1 cmake python-single-r1
if [[ ${PV} == * ]]; then
inherit git-r3
@@ -25,12 +26,14 @@ HOMEPAGE="https://www.votca.org/";
LICENSE="Apache-2.0"
SLOT="0"
IUSE="+gromacs test"
+REQUIRED_USE="${PYTHON_REQUIRED_USE}"
RESTRICT="!test? ( test )"
RDEPEND="
!sci-libs/votca-tools
!sci-chemistry/votca-csg
!sci-chemistry/votca-xtp
+ ${PYTHON_DEPS}
app-shells/bash:*
>=dev-cpp/eigen-3.3
dev-libs/boost:=
@@ -47,6 +50,13 @@ BDEPEND="virtual/pkgconfig"
DOCS=( README.rst NOTICE.rst CHANGELOG.rst )
+src_prepare() {
+ # espressopp was removed from gentoo
+ rm -r ./csg-tutorials/spce/ibi_espressopp || die
+ python_fix_shebang .
+ cmake_src_prepare
+}
+
src_configure() {
local mycmakeargs=(
-DENABLE_TESTING=$(usex test)
diff --git a/sci-chemistry/votca/votca-.ebuild
b/sci-chemistry/votca/votca-.ebuild
index a60728a6a6a9..0962e065f91d 100644
--- a/sci-chemistry/votca/votca-.ebuild
+++ b/sci-chemistry/votca/votca-.ebuild
@@ -2,8 +2,9 @@
# Distributed under the terms of the GNU General Public License v2
EAPI=7
+PYTHON_COMPAT=( python3_{8..10} )
-inherit bash-completion-r1 cmake
+inherit bash-completion-r1 cmake python-single-r1
if [[ ${PV} == * ]]; then
inherit git-r3
@@ -25,12 +26,14 @@ HOMEPAGE="https://www.votca.org/";
LICENSE="Apache-2.0"
SLOT="0"
IUSE="+gromacs test"
+REQUIRED_USE="${PYTHON_REQUIRED_USE}"
RESTRICT="!test? ( test )"
RDEPEND="
!sci-libs/votca-tools
!sci-chemistry/votca-csg
!sci-chemistry/votca-xtp
+ ${PYTHON_DEPS}
app-shells/bash:*
>=dev-cpp/eigen-3.3
dev-libs/boost:=
@@ -47,6 +50,13 @@ BDEPEND="virtual/pkgconfig"
DOCS=( README.rst NOTICE.rst CHANGELOG.rst )
+src_prepare() {
+ # espressopp was removed from gentoo
+ rm -r ./csg-tutorials/spce/ibi_espressopp || die
+ python_fix_shebang .
+ cmake_src_prepare
+}
+
src_configure() {
local mycmakeargs=(
-DENABLE_TESTING=$(usex test)
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca/
commit: 779099afac36901856782d1fd4dd69fa975e3f08 Author: Christoph Junghans gentoo org> AuthorDate: Sun Feb 20 14:57:51 2022 + Commit: Christoph Junghans gentoo org> CommitDate: Sun Feb 20 14:57:51 2022 + URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=779099af sci-chemistry/votca: fix deps Bug: https://bugs.gentoo.org/833793 Package-Manager: Portage-3.0.30, Repoman-3.0.3 Signed-off-by: Christoph Junghans gentoo.org> sci-chemistry/votca/votca-2022.ebuild | 2 +- sci-chemistry/votca/votca-.ebuild | 4 ++-- 2 files changed, 3 insertions(+), 3 deletions(-) diff --git a/sci-chemistry/votca/votca-2022.ebuild b/sci-chemistry/votca/votca-2022.ebuild index f59f5347f3de..a60728a6a6a9 100644 --- a/sci-chemistry/votca/votca-2022.ebuild +++ b/sci-chemistry/votca/votca-2022.ebuild @@ -37,7 +37,7 @@ RDEPEND=" dev-libs/expat sci-libs/fftw:3.0= dev-lang/perl - gromacs? ( sci-chemistry/gromacs:= ) + gromacs? ( sci-chemistry/gromacs:=[gmxapi-legacy(+)] ) sci-libs/hdf5[cxx] sci-libs/libxc sci-libs/libint:2 diff --git a/sci-chemistry/votca/votca-.ebuild b/sci-chemistry/votca/votca-.ebuild index 6a1ae090460b..a60728a6a6a9 100644 --- a/sci-chemistry/votca/votca-.ebuild +++ b/sci-chemistry/votca/votca-.ebuild @@ -1,4 +1,4 @@ -# Copyright 1999-2021 Gentoo Authors +# Copyright 1999-2022 Gentoo Authors # Distributed under the terms of the GNU General Public License v2 EAPI=7 @@ -37,7 +37,7 @@ RDEPEND=" dev-libs/expat sci-libs/fftw:3.0= dev-lang/perl - gromacs? ( sci-chemistry/gromacs:= ) + gromacs? ( sci-chemistry/gromacs:=[gmxapi-legacy(+)] ) sci-libs/hdf5[cxx] sci-libs/libxc sci-libs/libint:2
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca/
commit: 55dfd0a05bc6cda092e969ba5c80ae88d9ca2bf8
Author: Christoph Junghans gentoo org>
AuthorDate: Sun Feb 20 14:56:02 2022 +
Commit: Christoph Junghans gentoo org>
CommitDate: Sun Feb 20 14:56:02 2022 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=55dfd0a0
sci-chemistry/votca: remove old
Package-Manager: Portage-3.0.30, Repoman-3.0.3
Signed-off-by: Christoph Junghans gentoo.org>
sci-chemistry/votca/Manifest | 1 -
sci-chemistry/votca/votca-2022_rc2.ebuild | 70 ---
2 files changed, 71 deletions(-)
diff --git a/sci-chemistry/votca/Manifest b/sci-chemistry/votca/Manifest
index 21dca30b58dd..84be7c9f6881 100644
--- a/sci-chemistry/votca/Manifest
+++ b/sci-chemistry/votca/Manifest
@@ -1,2 +1 @@
DIST votca-2022.tar.gz 61688862 BLAKE2B
a6a8d1c34e2cd992d032730b2669c9ac5489b988fc334f730eaf1a40b275cc2fad8b24f03419510fe9fee7b0ad0bedf43f9b22b44ca1ae0178b16c9b255da53c
SHA512
ea5b7405872a2c0c8d6b4b86148a605b5e83207f1953f0b7393dabbb106ac785c50b45462f6271fbfad04c0246704a92199943acc65eb30d7f1a0a6d6ee4ab83
-DIST votca-2022_rc2.tar.gz 61692061 BLAKE2B
9fdf016267ff6657bfbbd51c79c2c38cb7064635d26e80b905eeeb8326ca1780f7a9c711802491f3ec7a216dbd53b86fe08da2c969a6a10db110168a02ac0d0f
SHA512
3bfd108df7499c21ad290955672ab042b9a11b7a868f0eb49fdbd94365e35ed7ffc8b8b44c9b7dd74b7504b8fd30cc6bacfed443068f2bb3702e272aad26c961
diff --git a/sci-chemistry/votca/votca-2022_rc2.ebuild
b/sci-chemistry/votca/votca-2022_rc2.ebuild
deleted file mode 100644
index 6a1ae090460b..
--- a/sci-chemistry/votca/votca-2022_rc2.ebuild
+++ /dev/null
@@ -1,70 +0,0 @@
-# Copyright 1999-2021 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=7
-
-inherit bash-completion-r1 cmake
-
-if [[ ${PV} == * ]]; then
- inherit git-r3
- EGIT_REPO_URI="https://github.com/votca/votca.git";
-else
- if [[ ${PV} = *_rc[1-9] ]]; then
- MY_PV="${PV%%_rc*}-rc.${PV##*_rc}"
- else
- MY_PV="${PV}"
- fi
- SRC_URI="https://github.com/votca/votca/archive/v${MY_PV}.tar.gz ->
${P}.tar.gz"
- KEYWORDS="~amd64 ~x86 ~amd64-linux"
- S="${WORKDIR}/votca-${MY_PV}"
-fi
-
-DESCRIPTION="Versatile Object-oriented Toolkit for Coarse-graining
Applications"
-HOMEPAGE="https://www.votca.org/";
-
-LICENSE="Apache-2.0"
-SLOT="0"
-IUSE="+gromacs test"
-RESTRICT="!test? ( test )"
-
-RDEPEND="
- !sci-libs/votca-tools
- !sci-chemistry/votca-csg
- !sci-chemistry/votca-xtp
- app-shells/bash:*
- >=dev-cpp/eigen-3.3
- dev-libs/boost:=
- dev-libs/expat
- sci-libs/fftw:3.0=
- dev-lang/perl
- gromacs? ( sci-chemistry/gromacs:= )
- sci-libs/hdf5[cxx]
- sci-libs/libxc
- sci-libs/libint:2
-"
-DEPEND="${RDEPEND}"
-BDEPEND="virtual/pkgconfig"
-
-DOCS=( README.rst NOTICE.rst CHANGELOG.rst )
-
-src_configure() {
- local mycmakeargs=(
- -DENABLE_TESTING=$(usex test)
- -DCMAKE_DISABLE_FIND_PACKAGE_GROMACS=$(usex !gromacs)
- -DBUILD_CSGAPPS=ON
- -DINSTALL_RC_FILES=OFF
- -DCMAKE_DISABLE_FIND_PACKAGE_MKL=ON
- )
- cmake_src_configure
-}
-
-pkg_postinst() {
- einfo
- einfo "Please read and cite:"
- einfo "VOTCA-XTP, J. Chem. Theo. Comp. 14, 6353 (2018)"
- einfo "https://doi.org/10.1021/acs.jctc.8b00617";
- einfo
- einfo "VOTCA, J. Chem. Theory Comput. 5, 3211 (2009). "
- einfo "https://dx.doi.org/10.1021/ct900369w";
- einfo
-}
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca/
commit: 24d49d50d85c465cabe555d7185fc9f1eed12a59
Author: Christoph Junghans gentoo org>
AuthorDate: Mon Feb 21 16:18:20 2022 +
Commit: Christoph Junghans gentoo org>
CommitDate: Mon Feb 21 16:18:36 2022 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=24d49d50
sci-chemistry/votca: fix python dep
Closes: https://bugs.gentoo.org/833818
Package-Manager: Portage-3.0.30, Repoman-3.0.3
Signed-off-by: Christoph Junghans gentoo.org>
sci-chemistry/votca/votca-2022.ebuild | 12 +++-
sci-chemistry/votca/votca-.ebuild | 12 +++-
2 files changed, 22 insertions(+), 2 deletions(-)
diff --git a/sci-chemistry/votca/votca-2022.ebuild
b/sci-chemistry/votca/votca-2022.ebuild
index a60728a6a6a9..0962e065f91d 100644
--- a/sci-chemistry/votca/votca-2022.ebuild
+++ b/sci-chemistry/votca/votca-2022.ebuild
@@ -2,8 +2,9 @@
# Distributed under the terms of the GNU General Public License v2
EAPI=7
+PYTHON_COMPAT=( python3_{8..10} )
-inherit bash-completion-r1 cmake
+inherit bash-completion-r1 cmake python-single-r1
if [[ ${PV} == * ]]; then
inherit git-r3
@@ -25,12 +26,14 @@ HOMEPAGE="https://www.votca.org/";
LICENSE="Apache-2.0"
SLOT="0"
IUSE="+gromacs test"
+REQUIRED_USE="${PYTHON_REQUIRED_USE}"
RESTRICT="!test? ( test )"
RDEPEND="
!sci-libs/votca-tools
!sci-chemistry/votca-csg
!sci-chemistry/votca-xtp
+ ${PYTHON_DEPS}
app-shells/bash:*
>=dev-cpp/eigen-3.3
dev-libs/boost:=
@@ -47,6 +50,13 @@ BDEPEND="virtual/pkgconfig"
DOCS=( README.rst NOTICE.rst CHANGELOG.rst )
+src_prepare() {
+ # espressopp was removed from gentoo
+ rm -r ./csg-tutorials/spce/ibi_espressopp || die
+ python_fix_shebang .
+ cmake_src_prepare
+}
+
src_configure() {
local mycmakeargs=(
-DENABLE_TESTING=$(usex test)
diff --git a/sci-chemistry/votca/votca-.ebuild
b/sci-chemistry/votca/votca-.ebuild
index a60728a6a6a9..0962e065f91d 100644
--- a/sci-chemistry/votca/votca-.ebuild
+++ b/sci-chemistry/votca/votca-.ebuild
@@ -2,8 +2,9 @@
# Distributed under the terms of the GNU General Public License v2
EAPI=7
+PYTHON_COMPAT=( python3_{8..10} )
-inherit bash-completion-r1 cmake
+inherit bash-completion-r1 cmake python-single-r1
if [[ ${PV} == * ]]; then
inherit git-r3
@@ -25,12 +26,14 @@ HOMEPAGE="https://www.votca.org/";
LICENSE="Apache-2.0"
SLOT="0"
IUSE="+gromacs test"
+REQUIRED_USE="${PYTHON_REQUIRED_USE}"
RESTRICT="!test? ( test )"
RDEPEND="
!sci-libs/votca-tools
!sci-chemistry/votca-csg
!sci-chemistry/votca-xtp
+ ${PYTHON_DEPS}
app-shells/bash:*
>=dev-cpp/eigen-3.3
dev-libs/boost:=
@@ -47,6 +50,13 @@ BDEPEND="virtual/pkgconfig"
DOCS=( README.rst NOTICE.rst CHANGELOG.rst )
+src_prepare() {
+ # espressopp was removed from gentoo
+ rm -r ./csg-tutorials/spce/ibi_espressopp || die
+ python_fix_shebang .
+ cmake_src_prepare
+}
+
src_configure() {
local mycmakeargs=(
-DENABLE_TESTING=$(usex test)
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca/
commit: 391014de2542916def561381b42652c062839deb
Author: Christoph Junghans gentoo org>
AuthorDate: Fri Dec 17 03:07:39 2021 +
Commit: Christoph Junghans gentoo org>
CommitDate: Fri Dec 17 03:08:10 2021 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=391014de
sci-chemistry/votca: initial import
Package-Manager: Portage-3.0.28, Repoman-3.0.3
Signed-off-by: Christoph Junghans gentoo.org>
sci-chemistry/votca/Manifest | 1 +
sci-chemistry/votca/metadata.xml | 18
sci-chemistry/votca/votca-2022_rc2.ebuild | 70 +++
sci-chemistry/votca/votca-.ebuild | 70 +++
4 files changed, 159 insertions(+)
diff --git a/sci-chemistry/votca/Manifest b/sci-chemistry/votca/Manifest
new file mode 100644
index ..655f50c45cdc
--- /dev/null
+++ b/sci-chemistry/votca/Manifest
@@ -0,0 +1 @@
+DIST votca-2022_rc2.tar.gz 61692061 BLAKE2B
9fdf016267ff6657bfbbd51c79c2c38cb7064635d26e80b905eeeb8326ca1780f7a9c711802491f3ec7a216dbd53b86fe08da2c969a6a10db110168a02ac0d0f
SHA512
3bfd108df7499c21ad290955672ab042b9a11b7a868f0eb49fdbd94365e35ed7ffc8b8b44c9b7dd74b7504b8fd30cc6bacfed443068f2bb3702e272aad26c961
diff --git a/sci-chemistry/votca/metadata.xml b/sci-chemistry/votca/metadata.xml
new file mode 100644
index ..137114c8f259
--- /dev/null
+++ b/sci-chemistry/votca/metadata.xml
@@ -0,0 +1,18 @@
+
+https://www.gentoo.org/dtd/metadata.dtd";>
+
+
+ jungh...@gentoo.org
+ Christoph Junghans
+
+
+ sci-chemis...@gentoo.org
+ Gentoo Chemistry Project
+
+
+ Add support for gromacs file formats
through sci-chemistry/gromacs
+
+
+ votca/votca
+
+
diff --git a/sci-chemistry/votca/votca-2022_rc2.ebuild
b/sci-chemistry/votca/votca-2022_rc2.ebuild
new file mode 100644
index ..6a1ae090460b
--- /dev/null
+++ b/sci-chemistry/votca/votca-2022_rc2.ebuild
@@ -0,0 +1,70 @@
+# Copyright 1999-2021 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=7
+
+inherit bash-completion-r1 cmake
+
+if [[ ${PV} == * ]]; then
+ inherit git-r3
+ EGIT_REPO_URI="https://github.com/votca/votca.git";
+else
+ if [[ ${PV} = *_rc[1-9] ]]; then
+ MY_PV="${PV%%_rc*}-rc.${PV##*_rc}"
+ else
+ MY_PV="${PV}"
+ fi
+ SRC_URI="https://github.com/votca/votca/archive/v${MY_PV}.tar.gz ->
${P}.tar.gz"
+ KEYWORDS="~amd64 ~x86 ~amd64-linux"
+ S="${WORKDIR}/votca-${MY_PV}"
+fi
+
+DESCRIPTION="Versatile Object-oriented Toolkit for Coarse-graining
Applications"
+HOMEPAGE="https://www.votca.org/";
+
+LICENSE="Apache-2.0"
+SLOT="0"
+IUSE="+gromacs test"
+RESTRICT="!test? ( test )"
+
+RDEPEND="
+ !sci-libs/votca-tools
+ !sci-chemistry/votca-csg
+ !sci-chemistry/votca-xtp
+ app-shells/bash:*
+ >=dev-cpp/eigen-3.3
+ dev-libs/boost:=
+ dev-libs/expat
+ sci-libs/fftw:3.0=
+ dev-lang/perl
+ gromacs? ( sci-chemistry/gromacs:= )
+ sci-libs/hdf5[cxx]
+ sci-libs/libxc
+ sci-libs/libint:2
+"
+DEPEND="${RDEPEND}"
+BDEPEND="virtual/pkgconfig"
+
+DOCS=( README.rst NOTICE.rst CHANGELOG.rst )
+
+src_configure() {
+ local mycmakeargs=(
+ -DENABLE_TESTING=$(usex test)
+ -DCMAKE_DISABLE_FIND_PACKAGE_GROMACS=$(usex !gromacs)
+ -DBUILD_CSGAPPS=ON
+ -DINSTALL_RC_FILES=OFF
+ -DCMAKE_DISABLE_FIND_PACKAGE_MKL=ON
+ )
+ cmake_src_configure
+}
+
+pkg_postinst() {
+ einfo
+ einfo "Please read and cite:"
+ einfo "VOTCA-XTP, J. Chem. Theo. Comp. 14, 6353 (2018)"
+ einfo "https://doi.org/10.1021/acs.jctc.8b00617";
+ einfo
+ einfo "VOTCA, J. Chem. Theory Comput. 5, 3211 (2009). "
+ einfo "https://dx.doi.org/10.1021/ct900369w";
+ einfo
+}
diff --git a/sci-chemistry/votca/votca-.ebuild
b/sci-chemistry/votca/votca-.ebuild
new file mode 100644
index ..6a1ae090460b
--- /dev/null
+++ b/sci-chemistry/votca/votca-.ebuild
@@ -0,0 +1,70 @@
+# Copyright 1999-2021 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=7
+
+inherit bash-completion-r1 cmake
+
+if [[ ${PV} == * ]]; then
+ inherit git-r3
+ EGIT_REPO_URI="https://github.com/votca/votca.git";
+else
+ if [[ ${PV} = *_rc[1-9] ]]; then
+ MY_PV="${PV%%_rc*}-rc.${PV##*_rc}"
+ else
+ MY_PV="${PV}"
+ fi
+ SRC_URI="https://github.com/votca/votca/archive/v${MY_PV}.tar.gz ->
${P}.tar.gz"
+ KEYWORDS="~amd64 ~x86 ~amd64-linux"
+ S="${WORKDIR}/votca-${MY_PV}"
+fi
+
+DESCRIPTION="Versatile Object-oriented Toolkit for Coarse-graining
Applications"
+HOMEPAGE="https://www.votca.org/";
+
+LICENSE="Apache-2.0"
+SLOT="0
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca/
commit: 5cbfdbbdc1be3f2ae0c8b2fdc23488e1ee8c9025
Author: Christoph Junghans gentoo org>
AuthorDate: Sun Jan 16 03:01:55 2022 +
Commit: Christoph Junghans gentoo org>
CommitDate: Sun Jan 16 03:02:19 2022 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=5cbfdbbd
sci-chemistry/votca: version bump
Package-Manager: Portage-3.0.28, Repoman-3.0.3
Signed-off-by: Christoph Junghans gentoo.org>
sci-chemistry/votca/Manifest | 1 +
sci-chemistry/votca/votca-2022.ebuild | 70 +++
2 files changed, 71 insertions(+)
diff --git a/sci-chemistry/votca/Manifest b/sci-chemistry/votca/Manifest
index 655f50c45cdc..21dca30b58dd 100644
--- a/sci-chemistry/votca/Manifest
+++ b/sci-chemistry/votca/Manifest
@@ -1 +1,2 @@
+DIST votca-2022.tar.gz 61688862 BLAKE2B
a6a8d1c34e2cd992d032730b2669c9ac5489b988fc334f730eaf1a40b275cc2fad8b24f03419510fe9fee7b0ad0bedf43f9b22b44ca1ae0178b16c9b255da53c
SHA512
ea5b7405872a2c0c8d6b4b86148a605b5e83207f1953f0b7393dabbb106ac785c50b45462f6271fbfad04c0246704a92199943acc65eb30d7f1a0a6d6ee4ab83
DIST votca-2022_rc2.tar.gz 61692061 BLAKE2B
9fdf016267ff6657bfbbd51c79c2c38cb7064635d26e80b905eeeb8326ca1780f7a9c711802491f3ec7a216dbd53b86fe08da2c969a6a10db110168a02ac0d0f
SHA512
3bfd108df7499c21ad290955672ab042b9a11b7a868f0eb49fdbd94365e35ed7ffc8b8b44c9b7dd74b7504b8fd30cc6bacfed443068f2bb3702e272aad26c961
diff --git a/sci-chemistry/votca/votca-2022.ebuild
b/sci-chemistry/votca/votca-2022.ebuild
new file mode 100644
index ..f59f5347f3de
--- /dev/null
+++ b/sci-chemistry/votca/votca-2022.ebuild
@@ -0,0 +1,70 @@
+# Copyright 1999-2022 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=7
+
+inherit bash-completion-r1 cmake
+
+if [[ ${PV} == * ]]; then
+ inherit git-r3
+ EGIT_REPO_URI="https://github.com/votca/votca.git";
+else
+ if [[ ${PV} = *_rc[1-9] ]]; then
+ MY_PV="${PV%%_rc*}-rc.${PV##*_rc}"
+ else
+ MY_PV="${PV}"
+ fi
+ SRC_URI="https://github.com/votca/votca/archive/v${MY_PV}.tar.gz ->
${P}.tar.gz"
+ KEYWORDS="~amd64 ~x86 ~amd64-linux"
+ S="${WORKDIR}/votca-${MY_PV}"
+fi
+
+DESCRIPTION="Versatile Object-oriented Toolkit for Coarse-graining
Applications"
+HOMEPAGE="https://www.votca.org/";
+
+LICENSE="Apache-2.0"
+SLOT="0"
+IUSE="+gromacs test"
+RESTRICT="!test? ( test )"
+
+RDEPEND="
+ !sci-libs/votca-tools
+ !sci-chemistry/votca-csg
+ !sci-chemistry/votca-xtp
+ app-shells/bash:*
+ >=dev-cpp/eigen-3.3
+ dev-libs/boost:=
+ dev-libs/expat
+ sci-libs/fftw:3.0=
+ dev-lang/perl
+ gromacs? ( sci-chemistry/gromacs:= )
+ sci-libs/hdf5[cxx]
+ sci-libs/libxc
+ sci-libs/libint:2
+"
+DEPEND="${RDEPEND}"
+BDEPEND="virtual/pkgconfig"
+
+DOCS=( README.rst NOTICE.rst CHANGELOG.rst )
+
+src_configure() {
+ local mycmakeargs=(
+ -DENABLE_TESTING=$(usex test)
+ -DCMAKE_DISABLE_FIND_PACKAGE_GROMACS=$(usex !gromacs)
+ -DBUILD_CSGAPPS=ON
+ -DINSTALL_RC_FILES=OFF
+ -DCMAKE_DISABLE_FIND_PACKAGE_MKL=ON
+ )
+ cmake_src_configure
+}
+
+pkg_postinst() {
+ einfo
+ einfo "Please read and cite:"
+ einfo "VOTCA-XTP, J. Chem. Theo. Comp. 14, 6353 (2018)"
+ einfo "https://doi.org/10.1021/acs.jctc.8b00617";
+ einfo
+ einfo "VOTCA, J. Chem. Theory Comput. 5, 3211 (2009). "
+ einfo "https://dx.doi.org/10.1021/ct900369w";
+ einfo
+}
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca/
commit: 779099afac36901856782d1fd4dd69fa975e3f08 Author: Christoph Junghans gentoo org> AuthorDate: Sun Feb 20 14:57:51 2022 + Commit: Christoph Junghans gentoo org> CommitDate: Sun Feb 20 14:57:51 2022 + URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=779099af sci-chemistry/votca: fix deps Bug: https://bugs.gentoo.org/833793 Package-Manager: Portage-3.0.30, Repoman-3.0.3 Signed-off-by: Christoph Junghans gentoo.org> sci-chemistry/votca/votca-2022.ebuild | 2 +- sci-chemistry/votca/votca-.ebuild | 4 ++-- 2 files changed, 3 insertions(+), 3 deletions(-) diff --git a/sci-chemistry/votca/votca-2022.ebuild b/sci-chemistry/votca/votca-2022.ebuild index f59f5347f3de..a60728a6a6a9 100644 --- a/sci-chemistry/votca/votca-2022.ebuild +++ b/sci-chemistry/votca/votca-2022.ebuild @@ -37,7 +37,7 @@ RDEPEND=" dev-libs/expat sci-libs/fftw:3.0= dev-lang/perl - gromacs? ( sci-chemistry/gromacs:= ) + gromacs? ( sci-chemistry/gromacs:=[gmxapi-legacy(+)] ) sci-libs/hdf5[cxx] sci-libs/libxc sci-libs/libint:2 diff --git a/sci-chemistry/votca/votca-.ebuild b/sci-chemistry/votca/votca-.ebuild index 6a1ae090460b..a60728a6a6a9 100644 --- a/sci-chemistry/votca/votca-.ebuild +++ b/sci-chemistry/votca/votca-.ebuild @@ -1,4 +1,4 @@ -# Copyright 1999-2021 Gentoo Authors +# Copyright 1999-2022 Gentoo Authors # Distributed under the terms of the GNU General Public License v2 EAPI=7 @@ -37,7 +37,7 @@ RDEPEND=" dev-libs/expat sci-libs/fftw:3.0= dev-lang/perl - gromacs? ( sci-chemistry/gromacs:= ) + gromacs? ( sci-chemistry/gromacs:=[gmxapi-legacy(+)] ) sci-libs/hdf5[cxx] sci-libs/libxc sci-libs/libint:2
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca/
commit: 55dfd0a05bc6cda092e969ba5c80ae88d9ca2bf8
Author: Christoph Junghans gentoo org>
AuthorDate: Sun Feb 20 14:56:02 2022 +
Commit: Christoph Junghans gentoo org>
CommitDate: Sun Feb 20 14:56:02 2022 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=55dfd0a0
sci-chemistry/votca: remove old
Package-Manager: Portage-3.0.30, Repoman-3.0.3
Signed-off-by: Christoph Junghans gentoo.org>
sci-chemistry/votca/Manifest | 1 -
sci-chemistry/votca/votca-2022_rc2.ebuild | 70 ---
2 files changed, 71 deletions(-)
diff --git a/sci-chemistry/votca/Manifest b/sci-chemistry/votca/Manifest
index 21dca30b58dd..84be7c9f6881 100644
--- a/sci-chemistry/votca/Manifest
+++ b/sci-chemistry/votca/Manifest
@@ -1,2 +1 @@
DIST votca-2022.tar.gz 61688862 BLAKE2B
a6a8d1c34e2cd992d032730b2669c9ac5489b988fc334f730eaf1a40b275cc2fad8b24f03419510fe9fee7b0ad0bedf43f9b22b44ca1ae0178b16c9b255da53c
SHA512
ea5b7405872a2c0c8d6b4b86148a605b5e83207f1953f0b7393dabbb106ac785c50b45462f6271fbfad04c0246704a92199943acc65eb30d7f1a0a6d6ee4ab83
-DIST votca-2022_rc2.tar.gz 61692061 BLAKE2B
9fdf016267ff6657bfbbd51c79c2c38cb7064635d26e80b905eeeb8326ca1780f7a9c711802491f3ec7a216dbd53b86fe08da2c969a6a10db110168a02ac0d0f
SHA512
3bfd108df7499c21ad290955672ab042b9a11b7a868f0eb49fdbd94365e35ed7ffc8b8b44c9b7dd74b7504b8fd30cc6bacfed443068f2bb3702e272aad26c961
diff --git a/sci-chemistry/votca/votca-2022_rc2.ebuild
b/sci-chemistry/votca/votca-2022_rc2.ebuild
deleted file mode 100644
index 6a1ae090460b..
--- a/sci-chemistry/votca/votca-2022_rc2.ebuild
+++ /dev/null
@@ -1,70 +0,0 @@
-# Copyright 1999-2021 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=7
-
-inherit bash-completion-r1 cmake
-
-if [[ ${PV} == * ]]; then
- inherit git-r3
- EGIT_REPO_URI="https://github.com/votca/votca.git";
-else
- if [[ ${PV} = *_rc[1-9] ]]; then
- MY_PV="${PV%%_rc*}-rc.${PV##*_rc}"
- else
- MY_PV="${PV}"
- fi
- SRC_URI="https://github.com/votca/votca/archive/v${MY_PV}.tar.gz ->
${P}.tar.gz"
- KEYWORDS="~amd64 ~x86 ~amd64-linux"
- S="${WORKDIR}/votca-${MY_PV}"
-fi
-
-DESCRIPTION="Versatile Object-oriented Toolkit for Coarse-graining
Applications"
-HOMEPAGE="https://www.votca.org/";
-
-LICENSE="Apache-2.0"
-SLOT="0"
-IUSE="+gromacs test"
-RESTRICT="!test? ( test )"
-
-RDEPEND="
- !sci-libs/votca-tools
- !sci-chemistry/votca-csg
- !sci-chemistry/votca-xtp
- app-shells/bash:*
- >=dev-cpp/eigen-3.3
- dev-libs/boost:=
- dev-libs/expat
- sci-libs/fftw:3.0=
- dev-lang/perl
- gromacs? ( sci-chemistry/gromacs:= )
- sci-libs/hdf5[cxx]
- sci-libs/libxc
- sci-libs/libint:2
-"
-DEPEND="${RDEPEND}"
-BDEPEND="virtual/pkgconfig"
-
-DOCS=( README.rst NOTICE.rst CHANGELOG.rst )
-
-src_configure() {
- local mycmakeargs=(
- -DENABLE_TESTING=$(usex test)
- -DCMAKE_DISABLE_FIND_PACKAGE_GROMACS=$(usex !gromacs)
- -DBUILD_CSGAPPS=ON
- -DINSTALL_RC_FILES=OFF
- -DCMAKE_DISABLE_FIND_PACKAGE_MKL=ON
- )
- cmake_src_configure
-}
-
-pkg_postinst() {
- einfo
- einfo "Please read and cite:"
- einfo "VOTCA-XTP, J. Chem. Theo. Comp. 14, 6353 (2018)"
- einfo "https://doi.org/10.1021/acs.jctc.8b00617";
- einfo
- einfo "VOTCA, J. Chem. Theory Comput. 5, 3211 (2009). "
- einfo "https://dx.doi.org/10.1021/ct900369w";
- einfo
-}
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca/
commit: 24d49d50d85c465cabe555d7185fc9f1eed12a59
Author: Christoph Junghans gentoo org>
AuthorDate: Mon Feb 21 16:18:20 2022 +
Commit: Christoph Junghans gentoo org>
CommitDate: Mon Feb 21 16:18:36 2022 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=24d49d50
sci-chemistry/votca: fix python dep
Closes: https://bugs.gentoo.org/833818
Package-Manager: Portage-3.0.30, Repoman-3.0.3
Signed-off-by: Christoph Junghans gentoo.org>
sci-chemistry/votca/votca-2022.ebuild | 12 +++-
sci-chemistry/votca/votca-.ebuild | 12 +++-
2 files changed, 22 insertions(+), 2 deletions(-)
diff --git a/sci-chemistry/votca/votca-2022.ebuild
b/sci-chemistry/votca/votca-2022.ebuild
index a60728a6a6a9..0962e065f91d 100644
--- a/sci-chemistry/votca/votca-2022.ebuild
+++ b/sci-chemistry/votca/votca-2022.ebuild
@@ -2,8 +2,9 @@
# Distributed under the terms of the GNU General Public License v2
EAPI=7
+PYTHON_COMPAT=( python3_{8..10} )
-inherit bash-completion-r1 cmake
+inherit bash-completion-r1 cmake python-single-r1
if [[ ${PV} == * ]]; then
inherit git-r3
@@ -25,12 +26,14 @@ HOMEPAGE="https://www.votca.org/";
LICENSE="Apache-2.0"
SLOT="0"
IUSE="+gromacs test"
+REQUIRED_USE="${PYTHON_REQUIRED_USE}"
RESTRICT="!test? ( test )"
RDEPEND="
!sci-libs/votca-tools
!sci-chemistry/votca-csg
!sci-chemistry/votca-xtp
+ ${PYTHON_DEPS}
app-shells/bash:*
>=dev-cpp/eigen-3.3
dev-libs/boost:=
@@ -47,6 +50,13 @@ BDEPEND="virtual/pkgconfig"
DOCS=( README.rst NOTICE.rst CHANGELOG.rst )
+src_prepare() {
+ # espressopp was removed from gentoo
+ rm -r ./csg-tutorials/spce/ibi_espressopp || die
+ python_fix_shebang .
+ cmake_src_prepare
+}
+
src_configure() {
local mycmakeargs=(
-DENABLE_TESTING=$(usex test)
diff --git a/sci-chemistry/votca/votca-.ebuild
b/sci-chemistry/votca/votca-.ebuild
index a60728a6a6a9..0962e065f91d 100644
--- a/sci-chemistry/votca/votca-.ebuild
+++ b/sci-chemistry/votca/votca-.ebuild
@@ -2,8 +2,9 @@
# Distributed under the terms of the GNU General Public License v2
EAPI=7
+PYTHON_COMPAT=( python3_{8..10} )
-inherit bash-completion-r1 cmake
+inherit bash-completion-r1 cmake python-single-r1
if [[ ${PV} == * ]]; then
inherit git-r3
@@ -25,12 +26,14 @@ HOMEPAGE="https://www.votca.org/";
LICENSE="Apache-2.0"
SLOT="0"
IUSE="+gromacs test"
+REQUIRED_USE="${PYTHON_REQUIRED_USE}"
RESTRICT="!test? ( test )"
RDEPEND="
!sci-libs/votca-tools
!sci-chemistry/votca-csg
!sci-chemistry/votca-xtp
+ ${PYTHON_DEPS}
app-shells/bash:*
>=dev-cpp/eigen-3.3
dev-libs/boost:=
@@ -47,6 +50,13 @@ BDEPEND="virtual/pkgconfig"
DOCS=( README.rst NOTICE.rst CHANGELOG.rst )
+src_prepare() {
+ # espressopp was removed from gentoo
+ rm -r ./csg-tutorials/spce/ibi_espressopp || die
+ python_fix_shebang .
+ cmake_src_prepare
+}
+
src_configure() {
local mycmakeargs=(
-DENABLE_TESTING=$(usex test)
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca/
commit: 5cbfdbbdc1be3f2ae0c8b2fdc23488e1ee8c9025
Author: Christoph Junghans gentoo org>
AuthorDate: Sun Jan 16 03:01:55 2022 +
Commit: Christoph Junghans gentoo org>
CommitDate: Sun Jan 16 03:02:19 2022 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=5cbfdbbd
sci-chemistry/votca: version bump
Package-Manager: Portage-3.0.28, Repoman-3.0.3
Signed-off-by: Christoph Junghans gentoo.org>
sci-chemistry/votca/Manifest | 1 +
sci-chemistry/votca/votca-2022.ebuild | 70 +++
2 files changed, 71 insertions(+)
diff --git a/sci-chemistry/votca/Manifest b/sci-chemistry/votca/Manifest
index 655f50c45cdc..21dca30b58dd 100644
--- a/sci-chemistry/votca/Manifest
+++ b/sci-chemistry/votca/Manifest
@@ -1 +1,2 @@
+DIST votca-2022.tar.gz 61688862 BLAKE2B
a6a8d1c34e2cd992d032730b2669c9ac5489b988fc334f730eaf1a40b275cc2fad8b24f03419510fe9fee7b0ad0bedf43f9b22b44ca1ae0178b16c9b255da53c
SHA512
ea5b7405872a2c0c8d6b4b86148a605b5e83207f1953f0b7393dabbb106ac785c50b45462f6271fbfad04c0246704a92199943acc65eb30d7f1a0a6d6ee4ab83
DIST votca-2022_rc2.tar.gz 61692061 BLAKE2B
9fdf016267ff6657bfbbd51c79c2c38cb7064635d26e80b905eeeb8326ca1780f7a9c711802491f3ec7a216dbd53b86fe08da2c969a6a10db110168a02ac0d0f
SHA512
3bfd108df7499c21ad290955672ab042b9a11b7a868f0eb49fdbd94365e35ed7ffc8b8b44c9b7dd74b7504b8fd30cc6bacfed443068f2bb3702e272aad26c961
diff --git a/sci-chemistry/votca/votca-2022.ebuild
b/sci-chemistry/votca/votca-2022.ebuild
new file mode 100644
index ..f59f5347f3de
--- /dev/null
+++ b/sci-chemistry/votca/votca-2022.ebuild
@@ -0,0 +1,70 @@
+# Copyright 1999-2022 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=7
+
+inherit bash-completion-r1 cmake
+
+if [[ ${PV} == * ]]; then
+ inherit git-r3
+ EGIT_REPO_URI="https://github.com/votca/votca.git";
+else
+ if [[ ${PV} = *_rc[1-9] ]]; then
+ MY_PV="${PV%%_rc*}-rc.${PV##*_rc}"
+ else
+ MY_PV="${PV}"
+ fi
+ SRC_URI="https://github.com/votca/votca/archive/v${MY_PV}.tar.gz ->
${P}.tar.gz"
+ KEYWORDS="~amd64 ~x86 ~amd64-linux"
+ S="${WORKDIR}/votca-${MY_PV}"
+fi
+
+DESCRIPTION="Versatile Object-oriented Toolkit for Coarse-graining
Applications"
+HOMEPAGE="https://www.votca.org/";
+
+LICENSE="Apache-2.0"
+SLOT="0"
+IUSE="+gromacs test"
+RESTRICT="!test? ( test )"
+
+RDEPEND="
+ !sci-libs/votca-tools
+ !sci-chemistry/votca-csg
+ !sci-chemistry/votca-xtp
+ app-shells/bash:*
+ >=dev-cpp/eigen-3.3
+ dev-libs/boost:=
+ dev-libs/expat
+ sci-libs/fftw:3.0=
+ dev-lang/perl
+ gromacs? ( sci-chemistry/gromacs:= )
+ sci-libs/hdf5[cxx]
+ sci-libs/libxc
+ sci-libs/libint:2
+"
+DEPEND="${RDEPEND}"
+BDEPEND="virtual/pkgconfig"
+
+DOCS=( README.rst NOTICE.rst CHANGELOG.rst )
+
+src_configure() {
+ local mycmakeargs=(
+ -DENABLE_TESTING=$(usex test)
+ -DCMAKE_DISABLE_FIND_PACKAGE_GROMACS=$(usex !gromacs)
+ -DBUILD_CSGAPPS=ON
+ -DINSTALL_RC_FILES=OFF
+ -DCMAKE_DISABLE_FIND_PACKAGE_MKL=ON
+ )
+ cmake_src_configure
+}
+
+pkg_postinst() {
+ einfo
+ einfo "Please read and cite:"
+ einfo "VOTCA-XTP, J. Chem. Theo. Comp. 14, 6353 (2018)"
+ einfo "https://doi.org/10.1021/acs.jctc.8b00617";
+ einfo
+ einfo "VOTCA, J. Chem. Theory Comput. 5, 3211 (2009). "
+ einfo "https://dx.doi.org/10.1021/ct900369w";
+ einfo
+}
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca/
commit: a327e1218dc1322a781528d782ae1ec3e6cf7a46
Author: Agostino Sarubbo gentoo org>
AuthorDate: Sun Jun 12 12:20:45 2022 +
Commit: Agostino Sarubbo gentoo org>
CommitDate: Sun Jun 12 12:20:45 2022 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=a327e121
sci-chemistry/votca: amd64 stable wrt bug #846386
Package-Manager: Portage-3.0.30, Repoman-3.0.3
RepoMan-Options: --include-arches="amd64"
Signed-off-by: Agostino Sarubbo gentoo.org>
sci-chemistry/votca/votca-2022.ebuild | 2 +-
1 file changed, 1 insertion(+), 1 deletion(-)
diff --git a/sci-chemistry/votca/votca-2022.ebuild
b/sci-chemistry/votca/votca-2022.ebuild
index 0962e065f91d..dc82ac6b007f 100644
--- a/sci-chemistry/votca/votca-2022.ebuild
+++ b/sci-chemistry/votca/votca-2022.ebuild
@@ -16,7 +16,7 @@ else
MY_PV="${PV}"
fi
SRC_URI="https://github.com/votca/votca/archive/v${MY_PV}.tar.gz ->
${P}.tar.gz"
- KEYWORDS="~amd64 ~x86 ~amd64-linux"
+ KEYWORDS="amd64 ~x86 ~amd64-linux"
S="${WORKDIR}/votca-${MY_PV}"
fi
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca/
commit: 1b8ba90cd3f3ee864dbd90991c20ec607278065e
Author: Agostino Sarubbo gentoo org>
AuthorDate: Mon Jun 13 07:13:34 2022 +
Commit: Agostino Sarubbo gentoo org>
CommitDate: Mon Jun 13 07:13:34 2022 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=1b8ba90c
sci-chemistry/votca: x86 stable wrt bug #846386
Package-Manager: Portage-3.0.30, Repoman-3.0.3
RepoMan-Options: --include-arches="x86"
Signed-off-by: Agostino Sarubbo gentoo.org>
sci-chemistry/votca/votca-2022.ebuild | 2 +-
1 file changed, 1 insertion(+), 1 deletion(-)
diff --git a/sci-chemistry/votca/votca-2022.ebuild
b/sci-chemistry/votca/votca-2022.ebuild
index dc82ac6b007f..95c32eda807a 100644
--- a/sci-chemistry/votca/votca-2022.ebuild
+++ b/sci-chemistry/votca/votca-2022.ebuild
@@ -16,7 +16,7 @@ else
MY_PV="${PV}"
fi
SRC_URI="https://github.com/votca/votca/archive/v${MY_PV}.tar.gz ->
${P}.tar.gz"
- KEYWORDS="amd64 ~x86 ~amd64-linux"
+ KEYWORDS="amd64 x86 ~amd64-linux"
S="${WORKDIR}/votca-${MY_PV}"
fi
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca/
commit: 391014de2542916def561381b42652c062839deb
Author: Christoph Junghans gentoo org>
AuthorDate: Fri Dec 17 03:07:39 2021 +
Commit: Christoph Junghans gentoo org>
CommitDate: Fri Dec 17 03:08:10 2021 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=391014de
sci-chemistry/votca: initial import
Package-Manager: Portage-3.0.28, Repoman-3.0.3
Signed-off-by: Christoph Junghans gentoo.org>
sci-chemistry/votca/Manifest | 1 +
sci-chemistry/votca/metadata.xml | 18
sci-chemistry/votca/votca-2022_rc2.ebuild | 70 +++
sci-chemistry/votca/votca-.ebuild | 70 +++
4 files changed, 159 insertions(+)
diff --git a/sci-chemistry/votca/Manifest b/sci-chemistry/votca/Manifest
new file mode 100644
index ..655f50c45cdc
--- /dev/null
+++ b/sci-chemistry/votca/Manifest
@@ -0,0 +1 @@
+DIST votca-2022_rc2.tar.gz 61692061 BLAKE2B
9fdf016267ff6657bfbbd51c79c2c38cb7064635d26e80b905eeeb8326ca1780f7a9c711802491f3ec7a216dbd53b86fe08da2c969a6a10db110168a02ac0d0f
SHA512
3bfd108df7499c21ad290955672ab042b9a11b7a868f0eb49fdbd94365e35ed7ffc8b8b44c9b7dd74b7504b8fd30cc6bacfed443068f2bb3702e272aad26c961
diff --git a/sci-chemistry/votca/metadata.xml b/sci-chemistry/votca/metadata.xml
new file mode 100644
index ..137114c8f259
--- /dev/null
+++ b/sci-chemistry/votca/metadata.xml
@@ -0,0 +1,18 @@
+
+https://www.gentoo.org/dtd/metadata.dtd";>
+
+
+ jungh...@gentoo.org
+ Christoph Junghans
+
+
+ sci-chemis...@gentoo.org
+ Gentoo Chemistry Project
+
+
+ Add support for gromacs file formats
through sci-chemistry/gromacs
+
+
+ votca/votca
+
+
diff --git a/sci-chemistry/votca/votca-2022_rc2.ebuild
b/sci-chemistry/votca/votca-2022_rc2.ebuild
new file mode 100644
index ..6a1ae090460b
--- /dev/null
+++ b/sci-chemistry/votca/votca-2022_rc2.ebuild
@@ -0,0 +1,70 @@
+# Copyright 1999-2021 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=7
+
+inherit bash-completion-r1 cmake
+
+if [[ ${PV} == * ]]; then
+ inherit git-r3
+ EGIT_REPO_URI="https://github.com/votca/votca.git";
+else
+ if [[ ${PV} = *_rc[1-9] ]]; then
+ MY_PV="${PV%%_rc*}-rc.${PV##*_rc}"
+ else
+ MY_PV="${PV}"
+ fi
+ SRC_URI="https://github.com/votca/votca/archive/v${MY_PV}.tar.gz ->
${P}.tar.gz"
+ KEYWORDS="~amd64 ~x86 ~amd64-linux"
+ S="${WORKDIR}/votca-${MY_PV}"
+fi
+
+DESCRIPTION="Versatile Object-oriented Toolkit for Coarse-graining
Applications"
+HOMEPAGE="https://www.votca.org/";
+
+LICENSE="Apache-2.0"
+SLOT="0"
+IUSE="+gromacs test"
+RESTRICT="!test? ( test )"
+
+RDEPEND="
+ !sci-libs/votca-tools
+ !sci-chemistry/votca-csg
+ !sci-chemistry/votca-xtp
+ app-shells/bash:*
+ >=dev-cpp/eigen-3.3
+ dev-libs/boost:=
+ dev-libs/expat
+ sci-libs/fftw:3.0=
+ dev-lang/perl
+ gromacs? ( sci-chemistry/gromacs:= )
+ sci-libs/hdf5[cxx]
+ sci-libs/libxc
+ sci-libs/libint:2
+"
+DEPEND="${RDEPEND}"
+BDEPEND="virtual/pkgconfig"
+
+DOCS=( README.rst NOTICE.rst CHANGELOG.rst )
+
+src_configure() {
+ local mycmakeargs=(
+ -DENABLE_TESTING=$(usex test)
+ -DCMAKE_DISABLE_FIND_PACKAGE_GROMACS=$(usex !gromacs)
+ -DBUILD_CSGAPPS=ON
+ -DINSTALL_RC_FILES=OFF
+ -DCMAKE_DISABLE_FIND_PACKAGE_MKL=ON
+ )
+ cmake_src_configure
+}
+
+pkg_postinst() {
+ einfo
+ einfo "Please read and cite:"
+ einfo "VOTCA-XTP, J. Chem. Theo. Comp. 14, 6353 (2018)"
+ einfo "https://doi.org/10.1021/acs.jctc.8b00617";
+ einfo
+ einfo "VOTCA, J. Chem. Theory Comput. 5, 3211 (2009). "
+ einfo "https://dx.doi.org/10.1021/ct900369w";
+ einfo
+}
diff --git a/sci-chemistry/votca/votca-.ebuild
b/sci-chemistry/votca/votca-.ebuild
new file mode 100644
index ..6a1ae090460b
--- /dev/null
+++ b/sci-chemistry/votca/votca-.ebuild
@@ -0,0 +1,70 @@
+# Copyright 1999-2021 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=7
+
+inherit bash-completion-r1 cmake
+
+if [[ ${PV} == * ]]; then
+ inherit git-r3
+ EGIT_REPO_URI="https://github.com/votca/votca.git";
+else
+ if [[ ${PV} = *_rc[1-9] ]]; then
+ MY_PV="${PV%%_rc*}-rc.${PV##*_rc}"
+ else
+ MY_PV="${PV}"
+ fi
+ SRC_URI="https://github.com/votca/votca/archive/v${MY_PV}.tar.gz ->
${P}.tar.gz"
+ KEYWORDS="~amd64 ~x86 ~amd64-linux"
+ S="${WORKDIR}/votca-${MY_PV}"
+fi
+
+DESCRIPTION="Versatile Object-oriented Toolkit for Coarse-graining
Applications"
+HOMEPAGE="https://www.votca.org/";
+
+LICENSE="Apache-2.0"
+SLOT="0
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca/
commit: 779099afac36901856782d1fd4dd69fa975e3f08 Author: Christoph Junghans gentoo org> AuthorDate: Sun Feb 20 14:57:51 2022 + Commit: Christoph Junghans gentoo org> CommitDate: Sun Feb 20 14:57:51 2022 + URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=779099af sci-chemistry/votca: fix deps Bug: https://bugs.gentoo.org/833793 Package-Manager: Portage-3.0.30, Repoman-3.0.3 Signed-off-by: Christoph Junghans gentoo.org> sci-chemistry/votca/votca-2022.ebuild | 2 +- sci-chemistry/votca/votca-.ebuild | 4 ++-- 2 files changed, 3 insertions(+), 3 deletions(-) diff --git a/sci-chemistry/votca/votca-2022.ebuild b/sci-chemistry/votca/votca-2022.ebuild index f59f5347f3de..a60728a6a6a9 100644 --- a/sci-chemistry/votca/votca-2022.ebuild +++ b/sci-chemistry/votca/votca-2022.ebuild @@ -37,7 +37,7 @@ RDEPEND=" dev-libs/expat sci-libs/fftw:3.0= dev-lang/perl - gromacs? ( sci-chemistry/gromacs:= ) + gromacs? ( sci-chemistry/gromacs:=[gmxapi-legacy(+)] ) sci-libs/hdf5[cxx] sci-libs/libxc sci-libs/libint:2 diff --git a/sci-chemistry/votca/votca-.ebuild b/sci-chemistry/votca/votca-.ebuild index 6a1ae090460b..a60728a6a6a9 100644 --- a/sci-chemistry/votca/votca-.ebuild +++ b/sci-chemistry/votca/votca-.ebuild @@ -1,4 +1,4 @@ -# Copyright 1999-2021 Gentoo Authors +# Copyright 1999-2022 Gentoo Authors # Distributed under the terms of the GNU General Public License v2 EAPI=7 @@ -37,7 +37,7 @@ RDEPEND=" dev-libs/expat sci-libs/fftw:3.0= dev-lang/perl - gromacs? ( sci-chemistry/gromacs:= ) + gromacs? ( sci-chemistry/gromacs:=[gmxapi-legacy(+)] ) sci-libs/hdf5[cxx] sci-libs/libxc sci-libs/libint:2
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca/
commit: 55dfd0a05bc6cda092e969ba5c80ae88d9ca2bf8
Author: Christoph Junghans gentoo org>
AuthorDate: Sun Feb 20 14:56:02 2022 +
Commit: Christoph Junghans gentoo org>
CommitDate: Sun Feb 20 14:56:02 2022 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=55dfd0a0
sci-chemistry/votca: remove old
Package-Manager: Portage-3.0.30, Repoman-3.0.3
Signed-off-by: Christoph Junghans gentoo.org>
sci-chemistry/votca/Manifest | 1 -
sci-chemistry/votca/votca-2022_rc2.ebuild | 70 ---
2 files changed, 71 deletions(-)
diff --git a/sci-chemistry/votca/Manifest b/sci-chemistry/votca/Manifest
index 21dca30b58dd..84be7c9f6881 100644
--- a/sci-chemistry/votca/Manifest
+++ b/sci-chemistry/votca/Manifest
@@ -1,2 +1 @@
DIST votca-2022.tar.gz 61688862 BLAKE2B
a6a8d1c34e2cd992d032730b2669c9ac5489b988fc334f730eaf1a40b275cc2fad8b24f03419510fe9fee7b0ad0bedf43f9b22b44ca1ae0178b16c9b255da53c
SHA512
ea5b7405872a2c0c8d6b4b86148a605b5e83207f1953f0b7393dabbb106ac785c50b45462f6271fbfad04c0246704a92199943acc65eb30d7f1a0a6d6ee4ab83
-DIST votca-2022_rc2.tar.gz 61692061 BLAKE2B
9fdf016267ff6657bfbbd51c79c2c38cb7064635d26e80b905eeeb8326ca1780f7a9c711802491f3ec7a216dbd53b86fe08da2c969a6a10db110168a02ac0d0f
SHA512
3bfd108df7499c21ad290955672ab042b9a11b7a868f0eb49fdbd94365e35ed7ffc8b8b44c9b7dd74b7504b8fd30cc6bacfed443068f2bb3702e272aad26c961
diff --git a/sci-chemistry/votca/votca-2022_rc2.ebuild
b/sci-chemistry/votca/votca-2022_rc2.ebuild
deleted file mode 100644
index 6a1ae090460b..
--- a/sci-chemistry/votca/votca-2022_rc2.ebuild
+++ /dev/null
@@ -1,70 +0,0 @@
-# Copyright 1999-2021 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=7
-
-inherit bash-completion-r1 cmake
-
-if [[ ${PV} == * ]]; then
- inherit git-r3
- EGIT_REPO_URI="https://github.com/votca/votca.git";
-else
- if [[ ${PV} = *_rc[1-9] ]]; then
- MY_PV="${PV%%_rc*}-rc.${PV##*_rc}"
- else
- MY_PV="${PV}"
- fi
- SRC_URI="https://github.com/votca/votca/archive/v${MY_PV}.tar.gz ->
${P}.tar.gz"
- KEYWORDS="~amd64 ~x86 ~amd64-linux"
- S="${WORKDIR}/votca-${MY_PV}"
-fi
-
-DESCRIPTION="Versatile Object-oriented Toolkit for Coarse-graining
Applications"
-HOMEPAGE="https://www.votca.org/";
-
-LICENSE="Apache-2.0"
-SLOT="0"
-IUSE="+gromacs test"
-RESTRICT="!test? ( test )"
-
-RDEPEND="
- !sci-libs/votca-tools
- !sci-chemistry/votca-csg
- !sci-chemistry/votca-xtp
- app-shells/bash:*
- >=dev-cpp/eigen-3.3
- dev-libs/boost:=
- dev-libs/expat
- sci-libs/fftw:3.0=
- dev-lang/perl
- gromacs? ( sci-chemistry/gromacs:= )
- sci-libs/hdf5[cxx]
- sci-libs/libxc
- sci-libs/libint:2
-"
-DEPEND="${RDEPEND}"
-BDEPEND="virtual/pkgconfig"
-
-DOCS=( README.rst NOTICE.rst CHANGELOG.rst )
-
-src_configure() {
- local mycmakeargs=(
- -DENABLE_TESTING=$(usex test)
- -DCMAKE_DISABLE_FIND_PACKAGE_GROMACS=$(usex !gromacs)
- -DBUILD_CSGAPPS=ON
- -DINSTALL_RC_FILES=OFF
- -DCMAKE_DISABLE_FIND_PACKAGE_MKL=ON
- )
- cmake_src_configure
-}
-
-pkg_postinst() {
- einfo
- einfo "Please read and cite:"
- einfo "VOTCA-XTP, J. Chem. Theo. Comp. 14, 6353 (2018)"
- einfo "https://doi.org/10.1021/acs.jctc.8b00617";
- einfo
- einfo "VOTCA, J. Chem. Theory Comput. 5, 3211 (2009). "
- einfo "https://dx.doi.org/10.1021/ct900369w";
- einfo
-}
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca/
commit: 24d49d50d85c465cabe555d7185fc9f1eed12a59
Author: Christoph Junghans gentoo org>
AuthorDate: Mon Feb 21 16:18:20 2022 +
Commit: Christoph Junghans gentoo org>
CommitDate: Mon Feb 21 16:18:36 2022 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=24d49d50
sci-chemistry/votca: fix python dep
Closes: https://bugs.gentoo.org/833818
Package-Manager: Portage-3.0.30, Repoman-3.0.3
Signed-off-by: Christoph Junghans gentoo.org>
sci-chemistry/votca/votca-2022.ebuild | 12 +++-
sci-chemistry/votca/votca-.ebuild | 12 +++-
2 files changed, 22 insertions(+), 2 deletions(-)
diff --git a/sci-chemistry/votca/votca-2022.ebuild
b/sci-chemistry/votca/votca-2022.ebuild
index a60728a6a6a9..0962e065f91d 100644
--- a/sci-chemistry/votca/votca-2022.ebuild
+++ b/sci-chemistry/votca/votca-2022.ebuild
@@ -2,8 +2,9 @@
# Distributed under the terms of the GNU General Public License v2
EAPI=7
+PYTHON_COMPAT=( python3_{8..10} )
-inherit bash-completion-r1 cmake
+inherit bash-completion-r1 cmake python-single-r1
if [[ ${PV} == * ]]; then
inherit git-r3
@@ -25,12 +26,14 @@ HOMEPAGE="https://www.votca.org/";
LICENSE="Apache-2.0"
SLOT="0"
IUSE="+gromacs test"
+REQUIRED_USE="${PYTHON_REQUIRED_USE}"
RESTRICT="!test? ( test )"
RDEPEND="
!sci-libs/votca-tools
!sci-chemistry/votca-csg
!sci-chemistry/votca-xtp
+ ${PYTHON_DEPS}
app-shells/bash:*
>=dev-cpp/eigen-3.3
dev-libs/boost:=
@@ -47,6 +50,13 @@ BDEPEND="virtual/pkgconfig"
DOCS=( README.rst NOTICE.rst CHANGELOG.rst )
+src_prepare() {
+ # espressopp was removed from gentoo
+ rm -r ./csg-tutorials/spce/ibi_espressopp || die
+ python_fix_shebang .
+ cmake_src_prepare
+}
+
src_configure() {
local mycmakeargs=(
-DENABLE_TESTING=$(usex test)
diff --git a/sci-chemistry/votca/votca-.ebuild
b/sci-chemistry/votca/votca-.ebuild
index a60728a6a6a9..0962e065f91d 100644
--- a/sci-chemistry/votca/votca-.ebuild
+++ b/sci-chemistry/votca/votca-.ebuild
@@ -2,8 +2,9 @@
# Distributed under the terms of the GNU General Public License v2
EAPI=7
+PYTHON_COMPAT=( python3_{8..10} )
-inherit bash-completion-r1 cmake
+inherit bash-completion-r1 cmake python-single-r1
if [[ ${PV} == * ]]; then
inherit git-r3
@@ -25,12 +26,14 @@ HOMEPAGE="https://www.votca.org/";
LICENSE="Apache-2.0"
SLOT="0"
IUSE="+gromacs test"
+REQUIRED_USE="${PYTHON_REQUIRED_USE}"
RESTRICT="!test? ( test )"
RDEPEND="
!sci-libs/votca-tools
!sci-chemistry/votca-csg
!sci-chemistry/votca-xtp
+ ${PYTHON_DEPS}
app-shells/bash:*
>=dev-cpp/eigen-3.3
dev-libs/boost:=
@@ -47,6 +50,13 @@ BDEPEND="virtual/pkgconfig"
DOCS=( README.rst NOTICE.rst CHANGELOG.rst )
+src_prepare() {
+ # espressopp was removed from gentoo
+ rm -r ./csg-tutorials/spce/ibi_espressopp || die
+ python_fix_shebang .
+ cmake_src_prepare
+}
+
src_configure() {
local mycmakeargs=(
-DENABLE_TESTING=$(usex test)
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca/
commit: 391014de2542916def561381b42652c062839deb
Author: Christoph Junghans gentoo org>
AuthorDate: Fri Dec 17 03:07:39 2021 +
Commit: Christoph Junghans gentoo org>
CommitDate: Fri Dec 17 03:08:10 2021 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=391014de
sci-chemistry/votca: initial import
Package-Manager: Portage-3.0.28, Repoman-3.0.3
Signed-off-by: Christoph Junghans gentoo.org>
sci-chemistry/votca/Manifest | 1 +
sci-chemistry/votca/metadata.xml | 18
sci-chemistry/votca/votca-2022_rc2.ebuild | 70 +++
sci-chemistry/votca/votca-.ebuild | 70 +++
4 files changed, 159 insertions(+)
diff --git a/sci-chemistry/votca/Manifest b/sci-chemistry/votca/Manifest
new file mode 100644
index ..655f50c45cdc
--- /dev/null
+++ b/sci-chemistry/votca/Manifest
@@ -0,0 +1 @@
+DIST votca-2022_rc2.tar.gz 61692061 BLAKE2B
9fdf016267ff6657bfbbd51c79c2c38cb7064635d26e80b905eeeb8326ca1780f7a9c711802491f3ec7a216dbd53b86fe08da2c969a6a10db110168a02ac0d0f
SHA512
3bfd108df7499c21ad290955672ab042b9a11b7a868f0eb49fdbd94365e35ed7ffc8b8b44c9b7dd74b7504b8fd30cc6bacfed443068f2bb3702e272aad26c961
diff --git a/sci-chemistry/votca/metadata.xml b/sci-chemistry/votca/metadata.xml
new file mode 100644
index ..137114c8f259
--- /dev/null
+++ b/sci-chemistry/votca/metadata.xml
@@ -0,0 +1,18 @@
+
+https://www.gentoo.org/dtd/metadata.dtd";>
+
+
+ jungh...@gentoo.org
+ Christoph Junghans
+
+
+ sci-chemis...@gentoo.org
+ Gentoo Chemistry Project
+
+
+ Add support for gromacs file formats
through sci-chemistry/gromacs
+
+
+ votca/votca
+
+
diff --git a/sci-chemistry/votca/votca-2022_rc2.ebuild
b/sci-chemistry/votca/votca-2022_rc2.ebuild
new file mode 100644
index ..6a1ae090460b
--- /dev/null
+++ b/sci-chemistry/votca/votca-2022_rc2.ebuild
@@ -0,0 +1,70 @@
+# Copyright 1999-2021 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=7
+
+inherit bash-completion-r1 cmake
+
+if [[ ${PV} == * ]]; then
+ inherit git-r3
+ EGIT_REPO_URI="https://github.com/votca/votca.git";
+else
+ if [[ ${PV} = *_rc[1-9] ]]; then
+ MY_PV="${PV%%_rc*}-rc.${PV##*_rc}"
+ else
+ MY_PV="${PV}"
+ fi
+ SRC_URI="https://github.com/votca/votca/archive/v${MY_PV}.tar.gz ->
${P}.tar.gz"
+ KEYWORDS="~amd64 ~x86 ~amd64-linux"
+ S="${WORKDIR}/votca-${MY_PV}"
+fi
+
+DESCRIPTION="Versatile Object-oriented Toolkit for Coarse-graining
Applications"
+HOMEPAGE="https://www.votca.org/";
+
+LICENSE="Apache-2.0"
+SLOT="0"
+IUSE="+gromacs test"
+RESTRICT="!test? ( test )"
+
+RDEPEND="
+ !sci-libs/votca-tools
+ !sci-chemistry/votca-csg
+ !sci-chemistry/votca-xtp
+ app-shells/bash:*
+ >=dev-cpp/eigen-3.3
+ dev-libs/boost:=
+ dev-libs/expat
+ sci-libs/fftw:3.0=
+ dev-lang/perl
+ gromacs? ( sci-chemistry/gromacs:= )
+ sci-libs/hdf5[cxx]
+ sci-libs/libxc
+ sci-libs/libint:2
+"
+DEPEND="${RDEPEND}"
+BDEPEND="virtual/pkgconfig"
+
+DOCS=( README.rst NOTICE.rst CHANGELOG.rst )
+
+src_configure() {
+ local mycmakeargs=(
+ -DENABLE_TESTING=$(usex test)
+ -DCMAKE_DISABLE_FIND_PACKAGE_GROMACS=$(usex !gromacs)
+ -DBUILD_CSGAPPS=ON
+ -DINSTALL_RC_FILES=OFF
+ -DCMAKE_DISABLE_FIND_PACKAGE_MKL=ON
+ )
+ cmake_src_configure
+}
+
+pkg_postinst() {
+ einfo
+ einfo "Please read and cite:"
+ einfo "VOTCA-XTP, J. Chem. Theo. Comp. 14, 6353 (2018)"
+ einfo "https://doi.org/10.1021/acs.jctc.8b00617";
+ einfo
+ einfo "VOTCA, J. Chem. Theory Comput. 5, 3211 (2009). "
+ einfo "https://dx.doi.org/10.1021/ct900369w";
+ einfo
+}
diff --git a/sci-chemistry/votca/votca-.ebuild
b/sci-chemistry/votca/votca-.ebuild
new file mode 100644
index ..6a1ae090460b
--- /dev/null
+++ b/sci-chemistry/votca/votca-.ebuild
@@ -0,0 +1,70 @@
+# Copyright 1999-2021 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=7
+
+inherit bash-completion-r1 cmake
+
+if [[ ${PV} == * ]]; then
+ inherit git-r3
+ EGIT_REPO_URI="https://github.com/votca/votca.git";
+else
+ if [[ ${PV} = *_rc[1-9] ]]; then
+ MY_PV="${PV%%_rc*}-rc.${PV##*_rc}"
+ else
+ MY_PV="${PV}"
+ fi
+ SRC_URI="https://github.com/votca/votca/archive/v${MY_PV}.tar.gz ->
${P}.tar.gz"
+ KEYWORDS="~amd64 ~x86 ~amd64-linux"
+ S="${WORKDIR}/votca-${MY_PV}"
+fi
+
+DESCRIPTION="Versatile Object-oriented Toolkit for Coarse-graining
Applications"
+HOMEPAGE="https://www.votca.org/";
+
+LICENSE="Apache-2.0"
+SLOT="0
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca/
commit: 5cbfdbbdc1be3f2ae0c8b2fdc23488e1ee8c9025
Author: Christoph Junghans gentoo org>
AuthorDate: Sun Jan 16 03:01:55 2022 +
Commit: Christoph Junghans gentoo org>
CommitDate: Sun Jan 16 03:02:19 2022 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=5cbfdbbd
sci-chemistry/votca: version bump
Package-Manager: Portage-3.0.28, Repoman-3.0.3
Signed-off-by: Christoph Junghans gentoo.org>
sci-chemistry/votca/Manifest | 1 +
sci-chemistry/votca/votca-2022.ebuild | 70 +++
2 files changed, 71 insertions(+)
diff --git a/sci-chemistry/votca/Manifest b/sci-chemistry/votca/Manifest
index 655f50c45cdc..21dca30b58dd 100644
--- a/sci-chemistry/votca/Manifest
+++ b/sci-chemistry/votca/Manifest
@@ -1 +1,2 @@
+DIST votca-2022.tar.gz 61688862 BLAKE2B
a6a8d1c34e2cd992d032730b2669c9ac5489b988fc334f730eaf1a40b275cc2fad8b24f03419510fe9fee7b0ad0bedf43f9b22b44ca1ae0178b16c9b255da53c
SHA512
ea5b7405872a2c0c8d6b4b86148a605b5e83207f1953f0b7393dabbb106ac785c50b45462f6271fbfad04c0246704a92199943acc65eb30d7f1a0a6d6ee4ab83
DIST votca-2022_rc2.tar.gz 61692061 BLAKE2B
9fdf016267ff6657bfbbd51c79c2c38cb7064635d26e80b905eeeb8326ca1780f7a9c711802491f3ec7a216dbd53b86fe08da2c969a6a10db110168a02ac0d0f
SHA512
3bfd108df7499c21ad290955672ab042b9a11b7a868f0eb49fdbd94365e35ed7ffc8b8b44c9b7dd74b7504b8fd30cc6bacfed443068f2bb3702e272aad26c961
diff --git a/sci-chemistry/votca/votca-2022.ebuild
b/sci-chemistry/votca/votca-2022.ebuild
new file mode 100644
index ..f59f5347f3de
--- /dev/null
+++ b/sci-chemistry/votca/votca-2022.ebuild
@@ -0,0 +1,70 @@
+# Copyright 1999-2022 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=7
+
+inherit bash-completion-r1 cmake
+
+if [[ ${PV} == * ]]; then
+ inherit git-r3
+ EGIT_REPO_URI="https://github.com/votca/votca.git";
+else
+ if [[ ${PV} = *_rc[1-9] ]]; then
+ MY_PV="${PV%%_rc*}-rc.${PV##*_rc}"
+ else
+ MY_PV="${PV}"
+ fi
+ SRC_URI="https://github.com/votca/votca/archive/v${MY_PV}.tar.gz ->
${P}.tar.gz"
+ KEYWORDS="~amd64 ~x86 ~amd64-linux"
+ S="${WORKDIR}/votca-${MY_PV}"
+fi
+
+DESCRIPTION="Versatile Object-oriented Toolkit for Coarse-graining
Applications"
+HOMEPAGE="https://www.votca.org/";
+
+LICENSE="Apache-2.0"
+SLOT="0"
+IUSE="+gromacs test"
+RESTRICT="!test? ( test )"
+
+RDEPEND="
+ !sci-libs/votca-tools
+ !sci-chemistry/votca-csg
+ !sci-chemistry/votca-xtp
+ app-shells/bash:*
+ >=dev-cpp/eigen-3.3
+ dev-libs/boost:=
+ dev-libs/expat
+ sci-libs/fftw:3.0=
+ dev-lang/perl
+ gromacs? ( sci-chemistry/gromacs:= )
+ sci-libs/hdf5[cxx]
+ sci-libs/libxc
+ sci-libs/libint:2
+"
+DEPEND="${RDEPEND}"
+BDEPEND="virtual/pkgconfig"
+
+DOCS=( README.rst NOTICE.rst CHANGELOG.rst )
+
+src_configure() {
+ local mycmakeargs=(
+ -DENABLE_TESTING=$(usex test)
+ -DCMAKE_DISABLE_FIND_PACKAGE_GROMACS=$(usex !gromacs)
+ -DBUILD_CSGAPPS=ON
+ -DINSTALL_RC_FILES=OFF
+ -DCMAKE_DISABLE_FIND_PACKAGE_MKL=ON
+ )
+ cmake_src_configure
+}
+
+pkg_postinst() {
+ einfo
+ einfo "Please read and cite:"
+ einfo "VOTCA-XTP, J. Chem. Theo. Comp. 14, 6353 (2018)"
+ einfo "https://doi.org/10.1021/acs.jctc.8b00617";
+ einfo
+ einfo "VOTCA, J. Chem. Theory Comput. 5, 3211 (2009). "
+ einfo "https://dx.doi.org/10.1021/ct900369w";
+ einfo
+}
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca/
commit: 779099afac36901856782d1fd4dd69fa975e3f08 Author: Christoph Junghans gentoo org> AuthorDate: Sun Feb 20 14:57:51 2022 + Commit: Christoph Junghans gentoo org> CommitDate: Sun Feb 20 14:57:51 2022 + URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=779099af sci-chemistry/votca: fix deps Bug: https://bugs.gentoo.org/833793 Package-Manager: Portage-3.0.30, Repoman-3.0.3 Signed-off-by: Christoph Junghans gentoo.org> sci-chemistry/votca/votca-2022.ebuild | 2 +- sci-chemistry/votca/votca-.ebuild | 4 ++-- 2 files changed, 3 insertions(+), 3 deletions(-) diff --git a/sci-chemistry/votca/votca-2022.ebuild b/sci-chemistry/votca/votca-2022.ebuild index f59f5347f3de..a60728a6a6a9 100644 --- a/sci-chemistry/votca/votca-2022.ebuild +++ b/sci-chemistry/votca/votca-2022.ebuild @@ -37,7 +37,7 @@ RDEPEND=" dev-libs/expat sci-libs/fftw:3.0= dev-lang/perl - gromacs? ( sci-chemistry/gromacs:= ) + gromacs? ( sci-chemistry/gromacs:=[gmxapi-legacy(+)] ) sci-libs/hdf5[cxx] sci-libs/libxc sci-libs/libint:2 diff --git a/sci-chemistry/votca/votca-.ebuild b/sci-chemistry/votca/votca-.ebuild index 6a1ae090460b..a60728a6a6a9 100644 --- a/sci-chemistry/votca/votca-.ebuild +++ b/sci-chemistry/votca/votca-.ebuild @@ -1,4 +1,4 @@ -# Copyright 1999-2021 Gentoo Authors +# Copyright 1999-2022 Gentoo Authors # Distributed under the terms of the GNU General Public License v2 EAPI=7 @@ -37,7 +37,7 @@ RDEPEND=" dev-libs/expat sci-libs/fftw:3.0= dev-lang/perl - gromacs? ( sci-chemistry/gromacs:= ) + gromacs? ( sci-chemistry/gromacs:=[gmxapi-legacy(+)] ) sci-libs/hdf5[cxx] sci-libs/libxc sci-libs/libint:2
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca/
commit: 55dfd0a05bc6cda092e969ba5c80ae88d9ca2bf8
Author: Christoph Junghans gentoo org>
AuthorDate: Sun Feb 20 14:56:02 2022 +
Commit: Christoph Junghans gentoo org>
CommitDate: Sun Feb 20 14:56:02 2022 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=55dfd0a0
sci-chemistry/votca: remove old
Package-Manager: Portage-3.0.30, Repoman-3.0.3
Signed-off-by: Christoph Junghans gentoo.org>
sci-chemistry/votca/Manifest | 1 -
sci-chemistry/votca/votca-2022_rc2.ebuild | 70 ---
2 files changed, 71 deletions(-)
diff --git a/sci-chemistry/votca/Manifest b/sci-chemistry/votca/Manifest
index 21dca30b58dd..84be7c9f6881 100644
--- a/sci-chemistry/votca/Manifest
+++ b/sci-chemistry/votca/Manifest
@@ -1,2 +1 @@
DIST votca-2022.tar.gz 61688862 BLAKE2B
a6a8d1c34e2cd992d032730b2669c9ac5489b988fc334f730eaf1a40b275cc2fad8b24f03419510fe9fee7b0ad0bedf43f9b22b44ca1ae0178b16c9b255da53c
SHA512
ea5b7405872a2c0c8d6b4b86148a605b5e83207f1953f0b7393dabbb106ac785c50b45462f6271fbfad04c0246704a92199943acc65eb30d7f1a0a6d6ee4ab83
-DIST votca-2022_rc2.tar.gz 61692061 BLAKE2B
9fdf016267ff6657bfbbd51c79c2c38cb7064635d26e80b905eeeb8326ca1780f7a9c711802491f3ec7a216dbd53b86fe08da2c969a6a10db110168a02ac0d0f
SHA512
3bfd108df7499c21ad290955672ab042b9a11b7a868f0eb49fdbd94365e35ed7ffc8b8b44c9b7dd74b7504b8fd30cc6bacfed443068f2bb3702e272aad26c961
diff --git a/sci-chemistry/votca/votca-2022_rc2.ebuild
b/sci-chemistry/votca/votca-2022_rc2.ebuild
deleted file mode 100644
index 6a1ae090460b..
--- a/sci-chemistry/votca/votca-2022_rc2.ebuild
+++ /dev/null
@@ -1,70 +0,0 @@
-# Copyright 1999-2021 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=7
-
-inherit bash-completion-r1 cmake
-
-if [[ ${PV} == * ]]; then
- inherit git-r3
- EGIT_REPO_URI="https://github.com/votca/votca.git";
-else
- if [[ ${PV} = *_rc[1-9] ]]; then
- MY_PV="${PV%%_rc*}-rc.${PV##*_rc}"
- else
- MY_PV="${PV}"
- fi
- SRC_URI="https://github.com/votca/votca/archive/v${MY_PV}.tar.gz ->
${P}.tar.gz"
- KEYWORDS="~amd64 ~x86 ~amd64-linux"
- S="${WORKDIR}/votca-${MY_PV}"
-fi
-
-DESCRIPTION="Versatile Object-oriented Toolkit for Coarse-graining
Applications"
-HOMEPAGE="https://www.votca.org/";
-
-LICENSE="Apache-2.0"
-SLOT="0"
-IUSE="+gromacs test"
-RESTRICT="!test? ( test )"
-
-RDEPEND="
- !sci-libs/votca-tools
- !sci-chemistry/votca-csg
- !sci-chemistry/votca-xtp
- app-shells/bash:*
- >=dev-cpp/eigen-3.3
- dev-libs/boost:=
- dev-libs/expat
- sci-libs/fftw:3.0=
- dev-lang/perl
- gromacs? ( sci-chemistry/gromacs:= )
- sci-libs/hdf5[cxx]
- sci-libs/libxc
- sci-libs/libint:2
-"
-DEPEND="${RDEPEND}"
-BDEPEND="virtual/pkgconfig"
-
-DOCS=( README.rst NOTICE.rst CHANGELOG.rst )
-
-src_configure() {
- local mycmakeargs=(
- -DENABLE_TESTING=$(usex test)
- -DCMAKE_DISABLE_FIND_PACKAGE_GROMACS=$(usex !gromacs)
- -DBUILD_CSGAPPS=ON
- -DINSTALL_RC_FILES=OFF
- -DCMAKE_DISABLE_FIND_PACKAGE_MKL=ON
- )
- cmake_src_configure
-}
-
-pkg_postinst() {
- einfo
- einfo "Please read and cite:"
- einfo "VOTCA-XTP, J. Chem. Theo. Comp. 14, 6353 (2018)"
- einfo "https://doi.org/10.1021/acs.jctc.8b00617";
- einfo
- einfo "VOTCA, J. Chem. Theory Comput. 5, 3211 (2009). "
- einfo "https://dx.doi.org/10.1021/ct900369w";
- einfo
-}
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca/
commit: 24d49d50d85c465cabe555d7185fc9f1eed12a59
Author: Christoph Junghans gentoo org>
AuthorDate: Mon Feb 21 16:18:20 2022 +
Commit: Christoph Junghans gentoo org>
CommitDate: Mon Feb 21 16:18:36 2022 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=24d49d50
sci-chemistry/votca: fix python dep
Closes: https://bugs.gentoo.org/833818
Package-Manager: Portage-3.0.30, Repoman-3.0.3
Signed-off-by: Christoph Junghans gentoo.org>
sci-chemistry/votca/votca-2022.ebuild | 12 +++-
sci-chemistry/votca/votca-.ebuild | 12 +++-
2 files changed, 22 insertions(+), 2 deletions(-)
diff --git a/sci-chemistry/votca/votca-2022.ebuild
b/sci-chemistry/votca/votca-2022.ebuild
index a60728a6a6a9..0962e065f91d 100644
--- a/sci-chemistry/votca/votca-2022.ebuild
+++ b/sci-chemistry/votca/votca-2022.ebuild
@@ -2,8 +2,9 @@
# Distributed under the terms of the GNU General Public License v2
EAPI=7
+PYTHON_COMPAT=( python3_{8..10} )
-inherit bash-completion-r1 cmake
+inherit bash-completion-r1 cmake python-single-r1
if [[ ${PV} == * ]]; then
inherit git-r3
@@ -25,12 +26,14 @@ HOMEPAGE="https://www.votca.org/";
LICENSE="Apache-2.0"
SLOT="0"
IUSE="+gromacs test"
+REQUIRED_USE="${PYTHON_REQUIRED_USE}"
RESTRICT="!test? ( test )"
RDEPEND="
!sci-libs/votca-tools
!sci-chemistry/votca-csg
!sci-chemistry/votca-xtp
+ ${PYTHON_DEPS}
app-shells/bash:*
>=dev-cpp/eigen-3.3
dev-libs/boost:=
@@ -47,6 +50,13 @@ BDEPEND="virtual/pkgconfig"
DOCS=( README.rst NOTICE.rst CHANGELOG.rst )
+src_prepare() {
+ # espressopp was removed from gentoo
+ rm -r ./csg-tutorials/spce/ibi_espressopp || die
+ python_fix_shebang .
+ cmake_src_prepare
+}
+
src_configure() {
local mycmakeargs=(
-DENABLE_TESTING=$(usex test)
diff --git a/sci-chemistry/votca/votca-.ebuild
b/sci-chemistry/votca/votca-.ebuild
index a60728a6a6a9..0962e065f91d 100644
--- a/sci-chemistry/votca/votca-.ebuild
+++ b/sci-chemistry/votca/votca-.ebuild
@@ -2,8 +2,9 @@
# Distributed under the terms of the GNU General Public License v2
EAPI=7
+PYTHON_COMPAT=( python3_{8..10} )
-inherit bash-completion-r1 cmake
+inherit bash-completion-r1 cmake python-single-r1
if [[ ${PV} == * ]]; then
inherit git-r3
@@ -25,12 +26,14 @@ HOMEPAGE="https://www.votca.org/";
LICENSE="Apache-2.0"
SLOT="0"
IUSE="+gromacs test"
+REQUIRED_USE="${PYTHON_REQUIRED_USE}"
RESTRICT="!test? ( test )"
RDEPEND="
!sci-libs/votca-tools
!sci-chemistry/votca-csg
!sci-chemistry/votca-xtp
+ ${PYTHON_DEPS}
app-shells/bash:*
>=dev-cpp/eigen-3.3
dev-libs/boost:=
@@ -47,6 +50,13 @@ BDEPEND="virtual/pkgconfig"
DOCS=( README.rst NOTICE.rst CHANGELOG.rst )
+src_prepare() {
+ # espressopp was removed from gentoo
+ rm -r ./csg-tutorials/spce/ibi_espressopp || die
+ python_fix_shebang .
+ cmake_src_prepare
+}
+
src_configure() {
local mycmakeargs=(
-DENABLE_TESTING=$(usex test)
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca/
commit: a327e1218dc1322a781528d782ae1ec3e6cf7a46
Author: Agostino Sarubbo gentoo org>
AuthorDate: Sun Jun 12 12:20:45 2022 +
Commit: Agostino Sarubbo gentoo org>
CommitDate: Sun Jun 12 12:20:45 2022 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=a327e121
sci-chemistry/votca: amd64 stable wrt bug #846386
Package-Manager: Portage-3.0.30, Repoman-3.0.3
RepoMan-Options: --include-arches="amd64"
Signed-off-by: Agostino Sarubbo gentoo.org>
sci-chemistry/votca/votca-2022.ebuild | 2 +-
1 file changed, 1 insertion(+), 1 deletion(-)
diff --git a/sci-chemistry/votca/votca-2022.ebuild
b/sci-chemistry/votca/votca-2022.ebuild
index 0962e065f91d..dc82ac6b007f 100644
--- a/sci-chemistry/votca/votca-2022.ebuild
+++ b/sci-chemistry/votca/votca-2022.ebuild
@@ -16,7 +16,7 @@ else
MY_PV="${PV}"
fi
SRC_URI="https://github.com/votca/votca/archive/v${MY_PV}.tar.gz ->
${P}.tar.gz"
- KEYWORDS="~amd64 ~x86 ~amd64-linux"
+ KEYWORDS="amd64 ~x86 ~amd64-linux"
S="${WORKDIR}/votca-${MY_PV}"
fi
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca/
commit: 1b8ba90cd3f3ee864dbd90991c20ec607278065e
Author: Agostino Sarubbo gentoo org>
AuthorDate: Mon Jun 13 07:13:34 2022 +
Commit: Agostino Sarubbo gentoo org>
CommitDate: Mon Jun 13 07:13:34 2022 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=1b8ba90c
sci-chemistry/votca: x86 stable wrt bug #846386
Package-Manager: Portage-3.0.30, Repoman-3.0.3
RepoMan-Options: --include-arches="x86"
Signed-off-by: Agostino Sarubbo gentoo.org>
sci-chemistry/votca/votca-2022.ebuild | 2 +-
1 file changed, 1 insertion(+), 1 deletion(-)
diff --git a/sci-chemistry/votca/votca-2022.ebuild
b/sci-chemistry/votca/votca-2022.ebuild
index dc82ac6b007f..95c32eda807a 100644
--- a/sci-chemistry/votca/votca-2022.ebuild
+++ b/sci-chemistry/votca/votca-2022.ebuild
@@ -16,7 +16,7 @@ else
MY_PV="${PV}"
fi
SRC_URI="https://github.com/votca/votca/archive/v${MY_PV}.tar.gz ->
${P}.tar.gz"
- KEYWORDS="amd64 ~x86 ~amd64-linux"
+ KEYWORDS="amd64 x86 ~amd64-linux"
S="${WORKDIR}/votca-${MY_PV}"
fi
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca/
commit: a327e1218dc1322a781528d782ae1ec3e6cf7a46
Author: Agostino Sarubbo gentoo org>
AuthorDate: Sun Jun 12 12:20:45 2022 +
Commit: Agostino Sarubbo gentoo org>
CommitDate: Sun Jun 12 12:20:45 2022 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=a327e121
sci-chemistry/votca: amd64 stable wrt bug #846386
Package-Manager: Portage-3.0.30, Repoman-3.0.3
RepoMan-Options: --include-arches="amd64"
Signed-off-by: Agostino Sarubbo gentoo.org>
sci-chemistry/votca/votca-2022.ebuild | 2 +-
1 file changed, 1 insertion(+), 1 deletion(-)
diff --git a/sci-chemistry/votca/votca-2022.ebuild
b/sci-chemistry/votca/votca-2022.ebuild
index 0962e065f91d..dc82ac6b007f 100644
--- a/sci-chemistry/votca/votca-2022.ebuild
+++ b/sci-chemistry/votca/votca-2022.ebuild
@@ -16,7 +16,7 @@ else
MY_PV="${PV}"
fi
SRC_URI="https://github.com/votca/votca/archive/v${MY_PV}.tar.gz ->
${P}.tar.gz"
- KEYWORDS="~amd64 ~x86 ~amd64-linux"
+ KEYWORDS="amd64 ~x86 ~amd64-linux"
S="${WORKDIR}/votca-${MY_PV}"
fi
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca/
commit: 1b8ba90cd3f3ee864dbd90991c20ec607278065e
Author: Agostino Sarubbo gentoo org>
AuthorDate: Mon Jun 13 07:13:34 2022 +
Commit: Agostino Sarubbo gentoo org>
CommitDate: Mon Jun 13 07:13:34 2022 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=1b8ba90c
sci-chemistry/votca: x86 stable wrt bug #846386
Package-Manager: Portage-3.0.30, Repoman-3.0.3
RepoMan-Options: --include-arches="x86"
Signed-off-by: Agostino Sarubbo gentoo.org>
sci-chemistry/votca/votca-2022.ebuild | 2 +-
1 file changed, 1 insertion(+), 1 deletion(-)
diff --git a/sci-chemistry/votca/votca-2022.ebuild
b/sci-chemistry/votca/votca-2022.ebuild
index dc82ac6b007f..95c32eda807a 100644
--- a/sci-chemistry/votca/votca-2022.ebuild
+++ b/sci-chemistry/votca/votca-2022.ebuild
@@ -16,7 +16,7 @@ else
MY_PV="${PV}"
fi
SRC_URI="https://github.com/votca/votca/archive/v${MY_PV}.tar.gz ->
${P}.tar.gz"
- KEYWORDS="amd64 ~x86 ~amd64-linux"
+ KEYWORDS="amd64 x86 ~amd64-linux"
S="${WORKDIR}/votca-${MY_PV}"
fi
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca/
commit: 779099afac36901856782d1fd4dd69fa975e3f08 Author: Christoph Junghans gentoo org> AuthorDate: Sun Feb 20 14:57:51 2022 + Commit: Christoph Junghans gentoo org> CommitDate: Sun Feb 20 14:57:51 2022 + URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=779099af sci-chemistry/votca: fix deps Bug: https://bugs.gentoo.org/833793 Package-Manager: Portage-3.0.30, Repoman-3.0.3 Signed-off-by: Christoph Junghans gentoo.org> sci-chemistry/votca/votca-2022.ebuild | 2 +- sci-chemistry/votca/votca-.ebuild | 4 ++-- 2 files changed, 3 insertions(+), 3 deletions(-) diff --git a/sci-chemistry/votca/votca-2022.ebuild b/sci-chemistry/votca/votca-2022.ebuild index f59f5347f3de..a60728a6a6a9 100644 --- a/sci-chemistry/votca/votca-2022.ebuild +++ b/sci-chemistry/votca/votca-2022.ebuild @@ -37,7 +37,7 @@ RDEPEND=" dev-libs/expat sci-libs/fftw:3.0= dev-lang/perl - gromacs? ( sci-chemistry/gromacs:= ) + gromacs? ( sci-chemistry/gromacs:=[gmxapi-legacy(+)] ) sci-libs/hdf5[cxx] sci-libs/libxc sci-libs/libint:2 diff --git a/sci-chemistry/votca/votca-.ebuild b/sci-chemistry/votca/votca-.ebuild index 6a1ae090460b..a60728a6a6a9 100644 --- a/sci-chemistry/votca/votca-.ebuild +++ b/sci-chemistry/votca/votca-.ebuild @@ -1,4 +1,4 @@ -# Copyright 1999-2021 Gentoo Authors +# Copyright 1999-2022 Gentoo Authors # Distributed under the terms of the GNU General Public License v2 EAPI=7 @@ -37,7 +37,7 @@ RDEPEND=" dev-libs/expat sci-libs/fftw:3.0= dev-lang/perl - gromacs? ( sci-chemistry/gromacs:= ) + gromacs? ( sci-chemistry/gromacs:=[gmxapi-legacy(+)] ) sci-libs/hdf5[cxx] sci-libs/libxc sci-libs/libint:2
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca/
commit: 55dfd0a05bc6cda092e969ba5c80ae88d9ca2bf8
Author: Christoph Junghans gentoo org>
AuthorDate: Sun Feb 20 14:56:02 2022 +
Commit: Christoph Junghans gentoo org>
CommitDate: Sun Feb 20 14:56:02 2022 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=55dfd0a0
sci-chemistry/votca: remove old
Package-Manager: Portage-3.0.30, Repoman-3.0.3
Signed-off-by: Christoph Junghans gentoo.org>
sci-chemistry/votca/Manifest | 1 -
sci-chemistry/votca/votca-2022_rc2.ebuild | 70 ---
2 files changed, 71 deletions(-)
diff --git a/sci-chemistry/votca/Manifest b/sci-chemistry/votca/Manifest
index 21dca30b58dd..84be7c9f6881 100644
--- a/sci-chemistry/votca/Manifest
+++ b/sci-chemistry/votca/Manifest
@@ -1,2 +1 @@
DIST votca-2022.tar.gz 61688862 BLAKE2B
a6a8d1c34e2cd992d032730b2669c9ac5489b988fc334f730eaf1a40b275cc2fad8b24f03419510fe9fee7b0ad0bedf43f9b22b44ca1ae0178b16c9b255da53c
SHA512
ea5b7405872a2c0c8d6b4b86148a605b5e83207f1953f0b7393dabbb106ac785c50b45462f6271fbfad04c0246704a92199943acc65eb30d7f1a0a6d6ee4ab83
-DIST votca-2022_rc2.tar.gz 61692061 BLAKE2B
9fdf016267ff6657bfbbd51c79c2c38cb7064635d26e80b905eeeb8326ca1780f7a9c711802491f3ec7a216dbd53b86fe08da2c969a6a10db110168a02ac0d0f
SHA512
3bfd108df7499c21ad290955672ab042b9a11b7a868f0eb49fdbd94365e35ed7ffc8b8b44c9b7dd74b7504b8fd30cc6bacfed443068f2bb3702e272aad26c961
diff --git a/sci-chemistry/votca/votca-2022_rc2.ebuild
b/sci-chemistry/votca/votca-2022_rc2.ebuild
deleted file mode 100644
index 6a1ae090460b..
--- a/sci-chemistry/votca/votca-2022_rc2.ebuild
+++ /dev/null
@@ -1,70 +0,0 @@
-# Copyright 1999-2021 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=7
-
-inherit bash-completion-r1 cmake
-
-if [[ ${PV} == * ]]; then
- inherit git-r3
- EGIT_REPO_URI="https://github.com/votca/votca.git";
-else
- if [[ ${PV} = *_rc[1-9] ]]; then
- MY_PV="${PV%%_rc*}-rc.${PV##*_rc}"
- else
- MY_PV="${PV}"
- fi
- SRC_URI="https://github.com/votca/votca/archive/v${MY_PV}.tar.gz ->
${P}.tar.gz"
- KEYWORDS="~amd64 ~x86 ~amd64-linux"
- S="${WORKDIR}/votca-${MY_PV}"
-fi
-
-DESCRIPTION="Versatile Object-oriented Toolkit for Coarse-graining
Applications"
-HOMEPAGE="https://www.votca.org/";
-
-LICENSE="Apache-2.0"
-SLOT="0"
-IUSE="+gromacs test"
-RESTRICT="!test? ( test )"
-
-RDEPEND="
- !sci-libs/votca-tools
- !sci-chemistry/votca-csg
- !sci-chemistry/votca-xtp
- app-shells/bash:*
- >=dev-cpp/eigen-3.3
- dev-libs/boost:=
- dev-libs/expat
- sci-libs/fftw:3.0=
- dev-lang/perl
- gromacs? ( sci-chemistry/gromacs:= )
- sci-libs/hdf5[cxx]
- sci-libs/libxc
- sci-libs/libint:2
-"
-DEPEND="${RDEPEND}"
-BDEPEND="virtual/pkgconfig"
-
-DOCS=( README.rst NOTICE.rst CHANGELOG.rst )
-
-src_configure() {
- local mycmakeargs=(
- -DENABLE_TESTING=$(usex test)
- -DCMAKE_DISABLE_FIND_PACKAGE_GROMACS=$(usex !gromacs)
- -DBUILD_CSGAPPS=ON
- -DINSTALL_RC_FILES=OFF
- -DCMAKE_DISABLE_FIND_PACKAGE_MKL=ON
- )
- cmake_src_configure
-}
-
-pkg_postinst() {
- einfo
- einfo "Please read and cite:"
- einfo "VOTCA-XTP, J. Chem. Theo. Comp. 14, 6353 (2018)"
- einfo "https://doi.org/10.1021/acs.jctc.8b00617";
- einfo
- einfo "VOTCA, J. Chem. Theory Comput. 5, 3211 (2009). "
- einfo "https://dx.doi.org/10.1021/ct900369w";
- einfo
-}
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca/
commit: 24d49d50d85c465cabe555d7185fc9f1eed12a59
Author: Christoph Junghans gentoo org>
AuthorDate: Mon Feb 21 16:18:20 2022 +
Commit: Christoph Junghans gentoo org>
CommitDate: Mon Feb 21 16:18:36 2022 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=24d49d50
sci-chemistry/votca: fix python dep
Closes: https://bugs.gentoo.org/833818
Package-Manager: Portage-3.0.30, Repoman-3.0.3
Signed-off-by: Christoph Junghans gentoo.org>
sci-chemistry/votca/votca-2022.ebuild | 12 +++-
sci-chemistry/votca/votca-.ebuild | 12 +++-
2 files changed, 22 insertions(+), 2 deletions(-)
diff --git a/sci-chemistry/votca/votca-2022.ebuild
b/sci-chemistry/votca/votca-2022.ebuild
index a60728a6a6a9..0962e065f91d 100644
--- a/sci-chemistry/votca/votca-2022.ebuild
+++ b/sci-chemistry/votca/votca-2022.ebuild
@@ -2,8 +2,9 @@
# Distributed under the terms of the GNU General Public License v2
EAPI=7
+PYTHON_COMPAT=( python3_{8..10} )
-inherit bash-completion-r1 cmake
+inherit bash-completion-r1 cmake python-single-r1
if [[ ${PV} == * ]]; then
inherit git-r3
@@ -25,12 +26,14 @@ HOMEPAGE="https://www.votca.org/";
LICENSE="Apache-2.0"
SLOT="0"
IUSE="+gromacs test"
+REQUIRED_USE="${PYTHON_REQUIRED_USE}"
RESTRICT="!test? ( test )"
RDEPEND="
!sci-libs/votca-tools
!sci-chemistry/votca-csg
!sci-chemistry/votca-xtp
+ ${PYTHON_DEPS}
app-shells/bash:*
>=dev-cpp/eigen-3.3
dev-libs/boost:=
@@ -47,6 +50,13 @@ BDEPEND="virtual/pkgconfig"
DOCS=( README.rst NOTICE.rst CHANGELOG.rst )
+src_prepare() {
+ # espressopp was removed from gentoo
+ rm -r ./csg-tutorials/spce/ibi_espressopp || die
+ python_fix_shebang .
+ cmake_src_prepare
+}
+
src_configure() {
local mycmakeargs=(
-DENABLE_TESTING=$(usex test)
diff --git a/sci-chemistry/votca/votca-.ebuild
b/sci-chemistry/votca/votca-.ebuild
index a60728a6a6a9..0962e065f91d 100644
--- a/sci-chemistry/votca/votca-.ebuild
+++ b/sci-chemistry/votca/votca-.ebuild
@@ -2,8 +2,9 @@
# Distributed under the terms of the GNU General Public License v2
EAPI=7
+PYTHON_COMPAT=( python3_{8..10} )
-inherit bash-completion-r1 cmake
+inherit bash-completion-r1 cmake python-single-r1
if [[ ${PV} == * ]]; then
inherit git-r3
@@ -25,12 +26,14 @@ HOMEPAGE="https://www.votca.org/";
LICENSE="Apache-2.0"
SLOT="0"
IUSE="+gromacs test"
+REQUIRED_USE="${PYTHON_REQUIRED_USE}"
RESTRICT="!test? ( test )"
RDEPEND="
!sci-libs/votca-tools
!sci-chemistry/votca-csg
!sci-chemistry/votca-xtp
+ ${PYTHON_DEPS}
app-shells/bash:*
>=dev-cpp/eigen-3.3
dev-libs/boost:=
@@ -47,6 +50,13 @@ BDEPEND="virtual/pkgconfig"
DOCS=( README.rst NOTICE.rst CHANGELOG.rst )
+src_prepare() {
+ # espressopp was removed from gentoo
+ rm -r ./csg-tutorials/spce/ibi_espressopp || die
+ python_fix_shebang .
+ cmake_src_prepare
+}
+
src_configure() {
local mycmakeargs=(
-DENABLE_TESTING=$(usex test)
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca/
commit: a327e1218dc1322a781528d782ae1ec3e6cf7a46
Author: Agostino Sarubbo gentoo org>
AuthorDate: Sun Jun 12 12:20:45 2022 +
Commit: Agostino Sarubbo gentoo org>
CommitDate: Sun Jun 12 12:20:45 2022 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=a327e121
sci-chemistry/votca: amd64 stable wrt bug #846386
Package-Manager: Portage-3.0.30, Repoman-3.0.3
RepoMan-Options: --include-arches="amd64"
Signed-off-by: Agostino Sarubbo gentoo.org>
sci-chemistry/votca/votca-2022.ebuild | 2 +-
1 file changed, 1 insertion(+), 1 deletion(-)
diff --git a/sci-chemistry/votca/votca-2022.ebuild
b/sci-chemistry/votca/votca-2022.ebuild
index 0962e065f91d..dc82ac6b007f 100644
--- a/sci-chemistry/votca/votca-2022.ebuild
+++ b/sci-chemistry/votca/votca-2022.ebuild
@@ -16,7 +16,7 @@ else
MY_PV="${PV}"
fi
SRC_URI="https://github.com/votca/votca/archive/v${MY_PV}.tar.gz ->
${P}.tar.gz"
- KEYWORDS="~amd64 ~x86 ~amd64-linux"
+ KEYWORDS="amd64 ~x86 ~amd64-linux"
S="${WORKDIR}/votca-${MY_PV}"
fi
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca/
commit: 1b8ba90cd3f3ee864dbd90991c20ec607278065e
Author: Agostino Sarubbo gentoo org>
AuthorDate: Mon Jun 13 07:13:34 2022 +
Commit: Agostino Sarubbo gentoo org>
CommitDate: Mon Jun 13 07:13:34 2022 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=1b8ba90c
sci-chemistry/votca: x86 stable wrt bug #846386
Package-Manager: Portage-3.0.30, Repoman-3.0.3
RepoMan-Options: --include-arches="x86"
Signed-off-by: Agostino Sarubbo gentoo.org>
sci-chemistry/votca/votca-2022.ebuild | 2 +-
1 file changed, 1 insertion(+), 1 deletion(-)
diff --git a/sci-chemistry/votca/votca-2022.ebuild
b/sci-chemistry/votca/votca-2022.ebuild
index dc82ac6b007f..95c32eda807a 100644
--- a/sci-chemistry/votca/votca-2022.ebuild
+++ b/sci-chemistry/votca/votca-2022.ebuild
@@ -16,7 +16,7 @@ else
MY_PV="${PV}"
fi
SRC_URI="https://github.com/votca/votca/archive/v${MY_PV}.tar.gz ->
${P}.tar.gz"
- KEYWORDS="amd64 ~x86 ~amd64-linux"
+ KEYWORDS="amd64 x86 ~amd64-linux"
S="${WORKDIR}/votca-${MY_PV}"
fi
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca/
commit: 5cbfdbbdc1be3f2ae0c8b2fdc23488e1ee8c9025
Author: Christoph Junghans gentoo org>
AuthorDate: Sun Jan 16 03:01:55 2022 +
Commit: Christoph Junghans gentoo org>
CommitDate: Sun Jan 16 03:02:19 2022 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=5cbfdbbd
sci-chemistry/votca: version bump
Package-Manager: Portage-3.0.28, Repoman-3.0.3
Signed-off-by: Christoph Junghans gentoo.org>
sci-chemistry/votca/Manifest | 1 +
sci-chemistry/votca/votca-2022.ebuild | 70 +++
2 files changed, 71 insertions(+)
diff --git a/sci-chemistry/votca/Manifest b/sci-chemistry/votca/Manifest
index 655f50c45cdc..21dca30b58dd 100644
--- a/sci-chemistry/votca/Manifest
+++ b/sci-chemistry/votca/Manifest
@@ -1 +1,2 @@
+DIST votca-2022.tar.gz 61688862 BLAKE2B
a6a8d1c34e2cd992d032730b2669c9ac5489b988fc334f730eaf1a40b275cc2fad8b24f03419510fe9fee7b0ad0bedf43f9b22b44ca1ae0178b16c9b255da53c
SHA512
ea5b7405872a2c0c8d6b4b86148a605b5e83207f1953f0b7393dabbb106ac785c50b45462f6271fbfad04c0246704a92199943acc65eb30d7f1a0a6d6ee4ab83
DIST votca-2022_rc2.tar.gz 61692061 BLAKE2B
9fdf016267ff6657bfbbd51c79c2c38cb7064635d26e80b905eeeb8326ca1780f7a9c711802491f3ec7a216dbd53b86fe08da2c969a6a10db110168a02ac0d0f
SHA512
3bfd108df7499c21ad290955672ab042b9a11b7a868f0eb49fdbd94365e35ed7ffc8b8b44c9b7dd74b7504b8fd30cc6bacfed443068f2bb3702e272aad26c961
diff --git a/sci-chemistry/votca/votca-2022.ebuild
b/sci-chemistry/votca/votca-2022.ebuild
new file mode 100644
index ..f59f5347f3de
--- /dev/null
+++ b/sci-chemistry/votca/votca-2022.ebuild
@@ -0,0 +1,70 @@
+# Copyright 1999-2022 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=7
+
+inherit bash-completion-r1 cmake
+
+if [[ ${PV} == * ]]; then
+ inherit git-r3
+ EGIT_REPO_URI="https://github.com/votca/votca.git";
+else
+ if [[ ${PV} = *_rc[1-9] ]]; then
+ MY_PV="${PV%%_rc*}-rc.${PV##*_rc}"
+ else
+ MY_PV="${PV}"
+ fi
+ SRC_URI="https://github.com/votca/votca/archive/v${MY_PV}.tar.gz ->
${P}.tar.gz"
+ KEYWORDS="~amd64 ~x86 ~amd64-linux"
+ S="${WORKDIR}/votca-${MY_PV}"
+fi
+
+DESCRIPTION="Versatile Object-oriented Toolkit for Coarse-graining
Applications"
+HOMEPAGE="https://www.votca.org/";
+
+LICENSE="Apache-2.0"
+SLOT="0"
+IUSE="+gromacs test"
+RESTRICT="!test? ( test )"
+
+RDEPEND="
+ !sci-libs/votca-tools
+ !sci-chemistry/votca-csg
+ !sci-chemistry/votca-xtp
+ app-shells/bash:*
+ >=dev-cpp/eigen-3.3
+ dev-libs/boost:=
+ dev-libs/expat
+ sci-libs/fftw:3.0=
+ dev-lang/perl
+ gromacs? ( sci-chemistry/gromacs:= )
+ sci-libs/hdf5[cxx]
+ sci-libs/libxc
+ sci-libs/libint:2
+"
+DEPEND="${RDEPEND}"
+BDEPEND="virtual/pkgconfig"
+
+DOCS=( README.rst NOTICE.rst CHANGELOG.rst )
+
+src_configure() {
+ local mycmakeargs=(
+ -DENABLE_TESTING=$(usex test)
+ -DCMAKE_DISABLE_FIND_PACKAGE_GROMACS=$(usex !gromacs)
+ -DBUILD_CSGAPPS=ON
+ -DINSTALL_RC_FILES=OFF
+ -DCMAKE_DISABLE_FIND_PACKAGE_MKL=ON
+ )
+ cmake_src_configure
+}
+
+pkg_postinst() {
+ einfo
+ einfo "Please read and cite:"
+ einfo "VOTCA-XTP, J. Chem. Theo. Comp. 14, 6353 (2018)"
+ einfo "https://doi.org/10.1021/acs.jctc.8b00617";
+ einfo
+ einfo "VOTCA, J. Chem. Theory Comput. 5, 3211 (2009). "
+ einfo "https://dx.doi.org/10.1021/ct900369w";
+ einfo
+}
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca/
commit: 391014de2542916def561381b42652c062839deb
Author: Christoph Junghans gentoo org>
AuthorDate: Fri Dec 17 03:07:39 2021 +
Commit: Christoph Junghans gentoo org>
CommitDate: Fri Dec 17 03:08:10 2021 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=391014de
sci-chemistry/votca: initial import
Package-Manager: Portage-3.0.28, Repoman-3.0.3
Signed-off-by: Christoph Junghans gentoo.org>
sci-chemistry/votca/Manifest | 1 +
sci-chemistry/votca/metadata.xml | 18
sci-chemistry/votca/votca-2022_rc2.ebuild | 70 +++
sci-chemistry/votca/votca-.ebuild | 70 +++
4 files changed, 159 insertions(+)
diff --git a/sci-chemistry/votca/Manifest b/sci-chemistry/votca/Manifest
new file mode 100644
index ..655f50c45cdc
--- /dev/null
+++ b/sci-chemistry/votca/Manifest
@@ -0,0 +1 @@
+DIST votca-2022_rc2.tar.gz 61692061 BLAKE2B
9fdf016267ff6657bfbbd51c79c2c38cb7064635d26e80b905eeeb8326ca1780f7a9c711802491f3ec7a216dbd53b86fe08da2c969a6a10db110168a02ac0d0f
SHA512
3bfd108df7499c21ad290955672ab042b9a11b7a868f0eb49fdbd94365e35ed7ffc8b8b44c9b7dd74b7504b8fd30cc6bacfed443068f2bb3702e272aad26c961
diff --git a/sci-chemistry/votca/metadata.xml b/sci-chemistry/votca/metadata.xml
new file mode 100644
index ..137114c8f259
--- /dev/null
+++ b/sci-chemistry/votca/metadata.xml
@@ -0,0 +1,18 @@
+
+https://www.gentoo.org/dtd/metadata.dtd";>
+
+
+ jungh...@gentoo.org
+ Christoph Junghans
+
+
+ sci-chemis...@gentoo.org
+ Gentoo Chemistry Project
+
+
+ Add support for gromacs file formats
through sci-chemistry/gromacs
+
+
+ votca/votca
+
+
diff --git a/sci-chemistry/votca/votca-2022_rc2.ebuild
b/sci-chemistry/votca/votca-2022_rc2.ebuild
new file mode 100644
index ..6a1ae090460b
--- /dev/null
+++ b/sci-chemistry/votca/votca-2022_rc2.ebuild
@@ -0,0 +1,70 @@
+# Copyright 1999-2021 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=7
+
+inherit bash-completion-r1 cmake
+
+if [[ ${PV} == * ]]; then
+ inherit git-r3
+ EGIT_REPO_URI="https://github.com/votca/votca.git";
+else
+ if [[ ${PV} = *_rc[1-9] ]]; then
+ MY_PV="${PV%%_rc*}-rc.${PV##*_rc}"
+ else
+ MY_PV="${PV}"
+ fi
+ SRC_URI="https://github.com/votca/votca/archive/v${MY_PV}.tar.gz ->
${P}.tar.gz"
+ KEYWORDS="~amd64 ~x86 ~amd64-linux"
+ S="${WORKDIR}/votca-${MY_PV}"
+fi
+
+DESCRIPTION="Versatile Object-oriented Toolkit for Coarse-graining
Applications"
+HOMEPAGE="https://www.votca.org/";
+
+LICENSE="Apache-2.0"
+SLOT="0"
+IUSE="+gromacs test"
+RESTRICT="!test? ( test )"
+
+RDEPEND="
+ !sci-libs/votca-tools
+ !sci-chemistry/votca-csg
+ !sci-chemistry/votca-xtp
+ app-shells/bash:*
+ >=dev-cpp/eigen-3.3
+ dev-libs/boost:=
+ dev-libs/expat
+ sci-libs/fftw:3.0=
+ dev-lang/perl
+ gromacs? ( sci-chemistry/gromacs:= )
+ sci-libs/hdf5[cxx]
+ sci-libs/libxc
+ sci-libs/libint:2
+"
+DEPEND="${RDEPEND}"
+BDEPEND="virtual/pkgconfig"
+
+DOCS=( README.rst NOTICE.rst CHANGELOG.rst )
+
+src_configure() {
+ local mycmakeargs=(
+ -DENABLE_TESTING=$(usex test)
+ -DCMAKE_DISABLE_FIND_PACKAGE_GROMACS=$(usex !gromacs)
+ -DBUILD_CSGAPPS=ON
+ -DINSTALL_RC_FILES=OFF
+ -DCMAKE_DISABLE_FIND_PACKAGE_MKL=ON
+ )
+ cmake_src_configure
+}
+
+pkg_postinst() {
+ einfo
+ einfo "Please read and cite:"
+ einfo "VOTCA-XTP, J. Chem. Theo. Comp. 14, 6353 (2018)"
+ einfo "https://doi.org/10.1021/acs.jctc.8b00617";
+ einfo
+ einfo "VOTCA, J. Chem. Theory Comput. 5, 3211 (2009). "
+ einfo "https://dx.doi.org/10.1021/ct900369w";
+ einfo
+}
diff --git a/sci-chemistry/votca/votca-.ebuild
b/sci-chemistry/votca/votca-.ebuild
new file mode 100644
index ..6a1ae090460b
--- /dev/null
+++ b/sci-chemistry/votca/votca-.ebuild
@@ -0,0 +1,70 @@
+# Copyright 1999-2021 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=7
+
+inherit bash-completion-r1 cmake
+
+if [[ ${PV} == * ]]; then
+ inherit git-r3
+ EGIT_REPO_URI="https://github.com/votca/votca.git";
+else
+ if [[ ${PV} = *_rc[1-9] ]]; then
+ MY_PV="${PV%%_rc*}-rc.${PV##*_rc}"
+ else
+ MY_PV="${PV}"
+ fi
+ SRC_URI="https://github.com/votca/votca/archive/v${MY_PV}.tar.gz ->
${P}.tar.gz"
+ KEYWORDS="~amd64 ~x86 ~amd64-linux"
+ S="${WORKDIR}/votca-${MY_PV}"
+fi
+
+DESCRIPTION="Versatile Object-oriented Toolkit for Coarse-graining
Applications"
+HOMEPAGE="https://www.votca.org/";
+
+LICENSE="Apache-2.0"
+SLOT="0
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca/
commit: 779099afac36901856782d1fd4dd69fa975e3f08 Author: Christoph Junghans gentoo org> AuthorDate: Sun Feb 20 14:57:51 2022 + Commit: Christoph Junghans gentoo org> CommitDate: Sun Feb 20 14:57:51 2022 + URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=779099af sci-chemistry/votca: fix deps Bug: https://bugs.gentoo.org/833793 Package-Manager: Portage-3.0.30, Repoman-3.0.3 Signed-off-by: Christoph Junghans gentoo.org> sci-chemistry/votca/votca-2022.ebuild | 2 +- sci-chemistry/votca/votca-.ebuild | 4 ++-- 2 files changed, 3 insertions(+), 3 deletions(-) diff --git a/sci-chemistry/votca/votca-2022.ebuild b/sci-chemistry/votca/votca-2022.ebuild index f59f5347f3de..a60728a6a6a9 100644 --- a/sci-chemistry/votca/votca-2022.ebuild +++ b/sci-chemistry/votca/votca-2022.ebuild @@ -37,7 +37,7 @@ RDEPEND=" dev-libs/expat sci-libs/fftw:3.0= dev-lang/perl - gromacs? ( sci-chemistry/gromacs:= ) + gromacs? ( sci-chemistry/gromacs:=[gmxapi-legacy(+)] ) sci-libs/hdf5[cxx] sci-libs/libxc sci-libs/libint:2 diff --git a/sci-chemistry/votca/votca-.ebuild b/sci-chemistry/votca/votca-.ebuild index 6a1ae090460b..a60728a6a6a9 100644 --- a/sci-chemistry/votca/votca-.ebuild +++ b/sci-chemistry/votca/votca-.ebuild @@ -1,4 +1,4 @@ -# Copyright 1999-2021 Gentoo Authors +# Copyright 1999-2022 Gentoo Authors # Distributed under the terms of the GNU General Public License v2 EAPI=7 @@ -37,7 +37,7 @@ RDEPEND=" dev-libs/expat sci-libs/fftw:3.0= dev-lang/perl - gromacs? ( sci-chemistry/gromacs:= ) + gromacs? ( sci-chemistry/gromacs:=[gmxapi-legacy(+)] ) sci-libs/hdf5[cxx] sci-libs/libxc sci-libs/libint:2
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca/
commit: 55dfd0a05bc6cda092e969ba5c80ae88d9ca2bf8
Author: Christoph Junghans gentoo org>
AuthorDate: Sun Feb 20 14:56:02 2022 +
Commit: Christoph Junghans gentoo org>
CommitDate: Sun Feb 20 14:56:02 2022 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=55dfd0a0
sci-chemistry/votca: remove old
Package-Manager: Portage-3.0.30, Repoman-3.0.3
Signed-off-by: Christoph Junghans gentoo.org>
sci-chemistry/votca/Manifest | 1 -
sci-chemistry/votca/votca-2022_rc2.ebuild | 70 ---
2 files changed, 71 deletions(-)
diff --git a/sci-chemistry/votca/Manifest b/sci-chemistry/votca/Manifest
index 21dca30b58dd..84be7c9f6881 100644
--- a/sci-chemistry/votca/Manifest
+++ b/sci-chemistry/votca/Manifest
@@ -1,2 +1 @@
DIST votca-2022.tar.gz 61688862 BLAKE2B
a6a8d1c34e2cd992d032730b2669c9ac5489b988fc334f730eaf1a40b275cc2fad8b24f03419510fe9fee7b0ad0bedf43f9b22b44ca1ae0178b16c9b255da53c
SHA512
ea5b7405872a2c0c8d6b4b86148a605b5e83207f1953f0b7393dabbb106ac785c50b45462f6271fbfad04c0246704a92199943acc65eb30d7f1a0a6d6ee4ab83
-DIST votca-2022_rc2.tar.gz 61692061 BLAKE2B
9fdf016267ff6657bfbbd51c79c2c38cb7064635d26e80b905eeeb8326ca1780f7a9c711802491f3ec7a216dbd53b86fe08da2c969a6a10db110168a02ac0d0f
SHA512
3bfd108df7499c21ad290955672ab042b9a11b7a868f0eb49fdbd94365e35ed7ffc8b8b44c9b7dd74b7504b8fd30cc6bacfed443068f2bb3702e272aad26c961
diff --git a/sci-chemistry/votca/votca-2022_rc2.ebuild
b/sci-chemistry/votca/votca-2022_rc2.ebuild
deleted file mode 100644
index 6a1ae090460b..
--- a/sci-chemistry/votca/votca-2022_rc2.ebuild
+++ /dev/null
@@ -1,70 +0,0 @@
-# Copyright 1999-2021 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=7
-
-inherit bash-completion-r1 cmake
-
-if [[ ${PV} == * ]]; then
- inherit git-r3
- EGIT_REPO_URI="https://github.com/votca/votca.git";
-else
- if [[ ${PV} = *_rc[1-9] ]]; then
- MY_PV="${PV%%_rc*}-rc.${PV##*_rc}"
- else
- MY_PV="${PV}"
- fi
- SRC_URI="https://github.com/votca/votca/archive/v${MY_PV}.tar.gz ->
${P}.tar.gz"
- KEYWORDS="~amd64 ~x86 ~amd64-linux"
- S="${WORKDIR}/votca-${MY_PV}"
-fi
-
-DESCRIPTION="Versatile Object-oriented Toolkit for Coarse-graining
Applications"
-HOMEPAGE="https://www.votca.org/";
-
-LICENSE="Apache-2.0"
-SLOT="0"
-IUSE="+gromacs test"
-RESTRICT="!test? ( test )"
-
-RDEPEND="
- !sci-libs/votca-tools
- !sci-chemistry/votca-csg
- !sci-chemistry/votca-xtp
- app-shells/bash:*
- >=dev-cpp/eigen-3.3
- dev-libs/boost:=
- dev-libs/expat
- sci-libs/fftw:3.0=
- dev-lang/perl
- gromacs? ( sci-chemistry/gromacs:= )
- sci-libs/hdf5[cxx]
- sci-libs/libxc
- sci-libs/libint:2
-"
-DEPEND="${RDEPEND}"
-BDEPEND="virtual/pkgconfig"
-
-DOCS=( README.rst NOTICE.rst CHANGELOG.rst )
-
-src_configure() {
- local mycmakeargs=(
- -DENABLE_TESTING=$(usex test)
- -DCMAKE_DISABLE_FIND_PACKAGE_GROMACS=$(usex !gromacs)
- -DBUILD_CSGAPPS=ON
- -DINSTALL_RC_FILES=OFF
- -DCMAKE_DISABLE_FIND_PACKAGE_MKL=ON
- )
- cmake_src_configure
-}
-
-pkg_postinst() {
- einfo
- einfo "Please read and cite:"
- einfo "VOTCA-XTP, J. Chem. Theo. Comp. 14, 6353 (2018)"
- einfo "https://doi.org/10.1021/acs.jctc.8b00617";
- einfo
- einfo "VOTCA, J. Chem. Theory Comput. 5, 3211 (2009). "
- einfo "https://dx.doi.org/10.1021/ct900369w";
- einfo
-}
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca/
commit: 24d49d50d85c465cabe555d7185fc9f1eed12a59
Author: Christoph Junghans gentoo org>
AuthorDate: Mon Feb 21 16:18:20 2022 +
Commit: Christoph Junghans gentoo org>
CommitDate: Mon Feb 21 16:18:36 2022 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=24d49d50
sci-chemistry/votca: fix python dep
Closes: https://bugs.gentoo.org/833818
Package-Manager: Portage-3.0.30, Repoman-3.0.3
Signed-off-by: Christoph Junghans gentoo.org>
sci-chemistry/votca/votca-2022.ebuild | 12 +++-
sci-chemistry/votca/votca-.ebuild | 12 +++-
2 files changed, 22 insertions(+), 2 deletions(-)
diff --git a/sci-chemistry/votca/votca-2022.ebuild
b/sci-chemistry/votca/votca-2022.ebuild
index a60728a6a6a9..0962e065f91d 100644
--- a/sci-chemistry/votca/votca-2022.ebuild
+++ b/sci-chemistry/votca/votca-2022.ebuild
@@ -2,8 +2,9 @@
# Distributed under the terms of the GNU General Public License v2
EAPI=7
+PYTHON_COMPAT=( python3_{8..10} )
-inherit bash-completion-r1 cmake
+inherit bash-completion-r1 cmake python-single-r1
if [[ ${PV} == * ]]; then
inherit git-r3
@@ -25,12 +26,14 @@ HOMEPAGE="https://www.votca.org/";
LICENSE="Apache-2.0"
SLOT="0"
IUSE="+gromacs test"
+REQUIRED_USE="${PYTHON_REQUIRED_USE}"
RESTRICT="!test? ( test )"
RDEPEND="
!sci-libs/votca-tools
!sci-chemistry/votca-csg
!sci-chemistry/votca-xtp
+ ${PYTHON_DEPS}
app-shells/bash:*
>=dev-cpp/eigen-3.3
dev-libs/boost:=
@@ -47,6 +50,13 @@ BDEPEND="virtual/pkgconfig"
DOCS=( README.rst NOTICE.rst CHANGELOG.rst )
+src_prepare() {
+ # espressopp was removed from gentoo
+ rm -r ./csg-tutorials/spce/ibi_espressopp || die
+ python_fix_shebang .
+ cmake_src_prepare
+}
+
src_configure() {
local mycmakeargs=(
-DENABLE_TESTING=$(usex test)
diff --git a/sci-chemistry/votca/votca-.ebuild
b/sci-chemistry/votca/votca-.ebuild
index a60728a6a6a9..0962e065f91d 100644
--- a/sci-chemistry/votca/votca-.ebuild
+++ b/sci-chemistry/votca/votca-.ebuild
@@ -2,8 +2,9 @@
# Distributed under the terms of the GNU General Public License v2
EAPI=7
+PYTHON_COMPAT=( python3_{8..10} )
-inherit bash-completion-r1 cmake
+inherit bash-completion-r1 cmake python-single-r1
if [[ ${PV} == * ]]; then
inherit git-r3
@@ -25,12 +26,14 @@ HOMEPAGE="https://www.votca.org/";
LICENSE="Apache-2.0"
SLOT="0"
IUSE="+gromacs test"
+REQUIRED_USE="${PYTHON_REQUIRED_USE}"
RESTRICT="!test? ( test )"
RDEPEND="
!sci-libs/votca-tools
!sci-chemistry/votca-csg
!sci-chemistry/votca-xtp
+ ${PYTHON_DEPS}
app-shells/bash:*
>=dev-cpp/eigen-3.3
dev-libs/boost:=
@@ -47,6 +50,13 @@ BDEPEND="virtual/pkgconfig"
DOCS=( README.rst NOTICE.rst CHANGELOG.rst )
+src_prepare() {
+ # espressopp was removed from gentoo
+ rm -r ./csg-tutorials/spce/ibi_espressopp || die
+ python_fix_shebang .
+ cmake_src_prepare
+}
+
src_configure() {
local mycmakeargs=(
-DENABLE_TESTING=$(usex test)
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca/
commit: 5cbfdbbdc1be3f2ae0c8b2fdc23488e1ee8c9025
Author: Christoph Junghans gentoo org>
AuthorDate: Sun Jan 16 03:01:55 2022 +
Commit: Christoph Junghans gentoo org>
CommitDate: Sun Jan 16 03:02:19 2022 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=5cbfdbbd
sci-chemistry/votca: version bump
Package-Manager: Portage-3.0.28, Repoman-3.0.3
Signed-off-by: Christoph Junghans gentoo.org>
sci-chemistry/votca/Manifest | 1 +
sci-chemistry/votca/votca-2022.ebuild | 70 +++
2 files changed, 71 insertions(+)
diff --git a/sci-chemistry/votca/Manifest b/sci-chemistry/votca/Manifest
index 655f50c45cdc..21dca30b58dd 100644
--- a/sci-chemistry/votca/Manifest
+++ b/sci-chemistry/votca/Manifest
@@ -1 +1,2 @@
+DIST votca-2022.tar.gz 61688862 BLAKE2B
a6a8d1c34e2cd992d032730b2669c9ac5489b988fc334f730eaf1a40b275cc2fad8b24f03419510fe9fee7b0ad0bedf43f9b22b44ca1ae0178b16c9b255da53c
SHA512
ea5b7405872a2c0c8d6b4b86148a605b5e83207f1953f0b7393dabbb106ac785c50b45462f6271fbfad04c0246704a92199943acc65eb30d7f1a0a6d6ee4ab83
DIST votca-2022_rc2.tar.gz 61692061 BLAKE2B
9fdf016267ff6657bfbbd51c79c2c38cb7064635d26e80b905eeeb8326ca1780f7a9c711802491f3ec7a216dbd53b86fe08da2c969a6a10db110168a02ac0d0f
SHA512
3bfd108df7499c21ad290955672ab042b9a11b7a868f0eb49fdbd94365e35ed7ffc8b8b44c9b7dd74b7504b8fd30cc6bacfed443068f2bb3702e272aad26c961
diff --git a/sci-chemistry/votca/votca-2022.ebuild
b/sci-chemistry/votca/votca-2022.ebuild
new file mode 100644
index ..f59f5347f3de
--- /dev/null
+++ b/sci-chemistry/votca/votca-2022.ebuild
@@ -0,0 +1,70 @@
+# Copyright 1999-2022 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=7
+
+inherit bash-completion-r1 cmake
+
+if [[ ${PV} == * ]]; then
+ inherit git-r3
+ EGIT_REPO_URI="https://github.com/votca/votca.git";
+else
+ if [[ ${PV} = *_rc[1-9] ]]; then
+ MY_PV="${PV%%_rc*}-rc.${PV##*_rc}"
+ else
+ MY_PV="${PV}"
+ fi
+ SRC_URI="https://github.com/votca/votca/archive/v${MY_PV}.tar.gz ->
${P}.tar.gz"
+ KEYWORDS="~amd64 ~x86 ~amd64-linux"
+ S="${WORKDIR}/votca-${MY_PV}"
+fi
+
+DESCRIPTION="Versatile Object-oriented Toolkit for Coarse-graining
Applications"
+HOMEPAGE="https://www.votca.org/";
+
+LICENSE="Apache-2.0"
+SLOT="0"
+IUSE="+gromacs test"
+RESTRICT="!test? ( test )"
+
+RDEPEND="
+ !sci-libs/votca-tools
+ !sci-chemistry/votca-csg
+ !sci-chemistry/votca-xtp
+ app-shells/bash:*
+ >=dev-cpp/eigen-3.3
+ dev-libs/boost:=
+ dev-libs/expat
+ sci-libs/fftw:3.0=
+ dev-lang/perl
+ gromacs? ( sci-chemistry/gromacs:= )
+ sci-libs/hdf5[cxx]
+ sci-libs/libxc
+ sci-libs/libint:2
+"
+DEPEND="${RDEPEND}"
+BDEPEND="virtual/pkgconfig"
+
+DOCS=( README.rst NOTICE.rst CHANGELOG.rst )
+
+src_configure() {
+ local mycmakeargs=(
+ -DENABLE_TESTING=$(usex test)
+ -DCMAKE_DISABLE_FIND_PACKAGE_GROMACS=$(usex !gromacs)
+ -DBUILD_CSGAPPS=ON
+ -DINSTALL_RC_FILES=OFF
+ -DCMAKE_DISABLE_FIND_PACKAGE_MKL=ON
+ )
+ cmake_src_configure
+}
+
+pkg_postinst() {
+ einfo
+ einfo "Please read and cite:"
+ einfo "VOTCA-XTP, J. Chem. Theo. Comp. 14, 6353 (2018)"
+ einfo "https://doi.org/10.1021/acs.jctc.8b00617";
+ einfo
+ einfo "VOTCA, J. Chem. Theory Comput. 5, 3211 (2009). "
+ einfo "https://dx.doi.org/10.1021/ct900369w";
+ einfo
+}
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca/
commit: 391014de2542916def561381b42652c062839deb
Author: Christoph Junghans gentoo org>
AuthorDate: Fri Dec 17 03:07:39 2021 +
Commit: Christoph Junghans gentoo org>
CommitDate: Fri Dec 17 03:08:10 2021 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=391014de
sci-chemistry/votca: initial import
Package-Manager: Portage-3.0.28, Repoman-3.0.3
Signed-off-by: Christoph Junghans gentoo.org>
sci-chemistry/votca/Manifest | 1 +
sci-chemistry/votca/metadata.xml | 18
sci-chemistry/votca/votca-2022_rc2.ebuild | 70 +++
sci-chemistry/votca/votca-.ebuild | 70 +++
4 files changed, 159 insertions(+)
diff --git a/sci-chemistry/votca/Manifest b/sci-chemistry/votca/Manifest
new file mode 100644
index ..655f50c45cdc
--- /dev/null
+++ b/sci-chemistry/votca/Manifest
@@ -0,0 +1 @@
+DIST votca-2022_rc2.tar.gz 61692061 BLAKE2B
9fdf016267ff6657bfbbd51c79c2c38cb7064635d26e80b905eeeb8326ca1780f7a9c711802491f3ec7a216dbd53b86fe08da2c969a6a10db110168a02ac0d0f
SHA512
3bfd108df7499c21ad290955672ab042b9a11b7a868f0eb49fdbd94365e35ed7ffc8b8b44c9b7dd74b7504b8fd30cc6bacfed443068f2bb3702e272aad26c961
diff --git a/sci-chemistry/votca/metadata.xml b/sci-chemistry/votca/metadata.xml
new file mode 100644
index ..137114c8f259
--- /dev/null
+++ b/sci-chemistry/votca/metadata.xml
@@ -0,0 +1,18 @@
+
+https://www.gentoo.org/dtd/metadata.dtd";>
+
+
+ jungh...@gentoo.org
+ Christoph Junghans
+
+
+ sci-chemis...@gentoo.org
+ Gentoo Chemistry Project
+
+
+ Add support for gromacs file formats
through sci-chemistry/gromacs
+
+
+ votca/votca
+
+
diff --git a/sci-chemistry/votca/votca-2022_rc2.ebuild
b/sci-chemistry/votca/votca-2022_rc2.ebuild
new file mode 100644
index ..6a1ae090460b
--- /dev/null
+++ b/sci-chemistry/votca/votca-2022_rc2.ebuild
@@ -0,0 +1,70 @@
+# Copyright 1999-2021 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=7
+
+inherit bash-completion-r1 cmake
+
+if [[ ${PV} == * ]]; then
+ inherit git-r3
+ EGIT_REPO_URI="https://github.com/votca/votca.git";
+else
+ if [[ ${PV} = *_rc[1-9] ]]; then
+ MY_PV="${PV%%_rc*}-rc.${PV##*_rc}"
+ else
+ MY_PV="${PV}"
+ fi
+ SRC_URI="https://github.com/votca/votca/archive/v${MY_PV}.tar.gz ->
${P}.tar.gz"
+ KEYWORDS="~amd64 ~x86 ~amd64-linux"
+ S="${WORKDIR}/votca-${MY_PV}"
+fi
+
+DESCRIPTION="Versatile Object-oriented Toolkit for Coarse-graining
Applications"
+HOMEPAGE="https://www.votca.org/";
+
+LICENSE="Apache-2.0"
+SLOT="0"
+IUSE="+gromacs test"
+RESTRICT="!test? ( test )"
+
+RDEPEND="
+ !sci-libs/votca-tools
+ !sci-chemistry/votca-csg
+ !sci-chemistry/votca-xtp
+ app-shells/bash:*
+ >=dev-cpp/eigen-3.3
+ dev-libs/boost:=
+ dev-libs/expat
+ sci-libs/fftw:3.0=
+ dev-lang/perl
+ gromacs? ( sci-chemistry/gromacs:= )
+ sci-libs/hdf5[cxx]
+ sci-libs/libxc
+ sci-libs/libint:2
+"
+DEPEND="${RDEPEND}"
+BDEPEND="virtual/pkgconfig"
+
+DOCS=( README.rst NOTICE.rst CHANGELOG.rst )
+
+src_configure() {
+ local mycmakeargs=(
+ -DENABLE_TESTING=$(usex test)
+ -DCMAKE_DISABLE_FIND_PACKAGE_GROMACS=$(usex !gromacs)
+ -DBUILD_CSGAPPS=ON
+ -DINSTALL_RC_FILES=OFF
+ -DCMAKE_DISABLE_FIND_PACKAGE_MKL=ON
+ )
+ cmake_src_configure
+}
+
+pkg_postinst() {
+ einfo
+ einfo "Please read and cite:"
+ einfo "VOTCA-XTP, J. Chem. Theo. Comp. 14, 6353 (2018)"
+ einfo "https://doi.org/10.1021/acs.jctc.8b00617";
+ einfo
+ einfo "VOTCA, J. Chem. Theory Comput. 5, 3211 (2009). "
+ einfo "https://dx.doi.org/10.1021/ct900369w";
+ einfo
+}
diff --git a/sci-chemistry/votca/votca-.ebuild
b/sci-chemistry/votca/votca-.ebuild
new file mode 100644
index ..6a1ae090460b
--- /dev/null
+++ b/sci-chemistry/votca/votca-.ebuild
@@ -0,0 +1,70 @@
+# Copyright 1999-2021 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=7
+
+inherit bash-completion-r1 cmake
+
+if [[ ${PV} == * ]]; then
+ inherit git-r3
+ EGIT_REPO_URI="https://github.com/votca/votca.git";
+else
+ if [[ ${PV} = *_rc[1-9] ]]; then
+ MY_PV="${PV%%_rc*}-rc.${PV##*_rc}"
+ else
+ MY_PV="${PV}"
+ fi
+ SRC_URI="https://github.com/votca/votca/archive/v${MY_PV}.tar.gz ->
${P}.tar.gz"
+ KEYWORDS="~amd64 ~x86 ~amd64-linux"
+ S="${WORKDIR}/votca-${MY_PV}"
+fi
+
+DESCRIPTION="Versatile Object-oriented Toolkit for Coarse-graining
Applications"
+HOMEPAGE="https://www.votca.org/";
+
+LICENSE="Apache-2.0"
+SLOT="0
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca/
commit: a327e1218dc1322a781528d782ae1ec3e6cf7a46
Author: Agostino Sarubbo gentoo org>
AuthorDate: Sun Jun 12 12:20:45 2022 +
Commit: Agostino Sarubbo gentoo org>
CommitDate: Sun Jun 12 12:20:45 2022 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=a327e121
sci-chemistry/votca: amd64 stable wrt bug #846386
Package-Manager: Portage-3.0.30, Repoman-3.0.3
RepoMan-Options: --include-arches="amd64"
Signed-off-by: Agostino Sarubbo gentoo.org>
sci-chemistry/votca/votca-2022.ebuild | 2 +-
1 file changed, 1 insertion(+), 1 deletion(-)
diff --git a/sci-chemistry/votca/votca-2022.ebuild
b/sci-chemistry/votca/votca-2022.ebuild
index 0962e065f91d..dc82ac6b007f 100644
--- a/sci-chemistry/votca/votca-2022.ebuild
+++ b/sci-chemistry/votca/votca-2022.ebuild
@@ -16,7 +16,7 @@ else
MY_PV="${PV}"
fi
SRC_URI="https://github.com/votca/votca/archive/v${MY_PV}.tar.gz ->
${P}.tar.gz"
- KEYWORDS="~amd64 ~x86 ~amd64-linux"
+ KEYWORDS="amd64 ~x86 ~amd64-linux"
S="${WORKDIR}/votca-${MY_PV}"
fi
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca/
commit: 1b8ba90cd3f3ee864dbd90991c20ec607278065e
Author: Agostino Sarubbo gentoo org>
AuthorDate: Mon Jun 13 07:13:34 2022 +
Commit: Agostino Sarubbo gentoo org>
CommitDate: Mon Jun 13 07:13:34 2022 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=1b8ba90c
sci-chemistry/votca: x86 stable wrt bug #846386
Package-Manager: Portage-3.0.30, Repoman-3.0.3
RepoMan-Options: --include-arches="x86"
Signed-off-by: Agostino Sarubbo gentoo.org>
sci-chemistry/votca/votca-2022.ebuild | 2 +-
1 file changed, 1 insertion(+), 1 deletion(-)
diff --git a/sci-chemistry/votca/votca-2022.ebuild
b/sci-chemistry/votca/votca-2022.ebuild
index dc82ac6b007f..95c32eda807a 100644
--- a/sci-chemistry/votca/votca-2022.ebuild
+++ b/sci-chemistry/votca/votca-2022.ebuild
@@ -16,7 +16,7 @@ else
MY_PV="${PV}"
fi
SRC_URI="https://github.com/votca/votca/archive/v${MY_PV}.tar.gz ->
${P}.tar.gz"
- KEYWORDS="amd64 ~x86 ~amd64-linux"
+ KEYWORDS="amd64 x86 ~amd64-linux"
S="${WORKDIR}/votca-${MY_PV}"
fi
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca/
commit: 3dfa73898c0b4e81b84db78485c8a58b6edd2469
Author: Andreas Sturmlechner gentoo org>
AuthorDate: Thu Mar 7 13:53:40 2024 +
Commit: Andreas Sturmlechner gentoo org>
CommitDate: Sun Mar 24 21:02:43 2024 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=3dfa7389
sci-chemistry/votca: drop 2022
Signed-off-by: Andreas Sturmlechner gentoo.org>
sci-chemistry/votca/Manifest | 1 -
sci-chemistry/votca/votca-2022.ebuild | 80 ---
2 files changed, 81 deletions(-)
diff --git a/sci-chemistry/votca/Manifest b/sci-chemistry/votca/Manifest
index a1f13dfe694f..9b95b56c1e77 100644
--- a/sci-chemistry/votca/Manifest
+++ b/sci-chemistry/votca/Manifest
@@ -1,2 +1 @@
DIST votca-2022.1.tar.gz 61692029 BLAKE2B
c58023098f596d7c6f301e94883df3e442761b8c1009823ef5a07e788fabb2a0fa572326e0d614f8102104ef5dcec89505da1c911bb703126c123d2a25a2031e
SHA512
dda5cbf1835440abd1b0b511275e10e5facfa9f133062ae082cca4f5654e4af0be0b574b87c70004c0d07920519927bac5620b89ce073de9985bdf792f0dd21a
-DIST votca-2022.tar.gz 61688862 BLAKE2B
a6a8d1c34e2cd992d032730b2669c9ac5489b988fc334f730eaf1a40b275cc2fad8b24f03419510fe9fee7b0ad0bedf43f9b22b44ca1ae0178b16c9b255da53c
SHA512
ea5b7405872a2c0c8d6b4b86148a605b5e83207f1953f0b7393dabbb106ac785c50b45462f6271fbfad04c0246704a92199943acc65eb30d7f1a0a6d6ee4ab83
diff --git a/sci-chemistry/votca/votca-2022.ebuild
b/sci-chemistry/votca/votca-2022.ebuild
deleted file mode 100644
index 89d10678c31f..
--- a/sci-chemistry/votca/votca-2022.ebuild
+++ /dev/null
@@ -1,80 +0,0 @@
-# Copyright 1999-2023 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=7
-PYTHON_COMPAT=( python3_{9..10} )
-
-inherit bash-completion-r1 cmake python-single-r1
-
-if [[ ${PV} == * ]]; then
- inherit git-r3
- EGIT_REPO_URI="https://github.com/votca/votca.git";
-else
- if [[ ${PV} = *_rc[1-9] ]]; then
- MY_PV="${PV%%_rc*}-rc.${PV##*_rc}"
- else
- MY_PV="${PV}"
- fi
- SRC_URI="https://github.com/votca/votca/archive/v${MY_PV}.tar.gz ->
${P}.tar.gz"
- KEYWORDS="amd64 ~x86 ~amd64-linux"
- S="${WORKDIR}/votca-${MY_PV}"
-fi
-
-DESCRIPTION="Versatile Object-oriented Toolkit for Coarse-graining
Applications"
-HOMEPAGE="https://www.votca.org/";
-
-LICENSE="Apache-2.0"
-SLOT="0"
-IUSE="+gromacs test"
-REQUIRED_USE="${PYTHON_REQUIRED_USE}"
-RESTRICT="!test? ( test )"
-
-RDEPEND="
- !sci-libs/votca-tools
- !sci-chemistry/votca-csg
- !sci-chemistry/votca-xtp
- ${PYTHON_DEPS}
- app-shells/bash:*
- >=dev-cpp/eigen-3.3
- dev-libs/boost:=
- dev-libs/expat
- sci-libs/fftw:3.0=
- dev-lang/perl
- gromacs? ( sci-chemistry/gromacs:=[gmxapi-legacy(+)] )
- sci-libs/hdf5[cxx]
- sci-libs/libxc
- sci-libs/libint:2
-"
-DEPEND="${RDEPEND}"
-BDEPEND="virtual/pkgconfig"
-
-DOCS=( README.rst NOTICE.rst CHANGELOG.rst )
-
-src_prepare() {
- # espressopp was removed from gentoo
- rm -r ./csg-tutorials/spce/ibi_espressopp || die
- python_fix_shebang .
- cmake_src_prepare
-}
-
-src_configure() {
- local mycmakeargs=(
- -DENABLE_TESTING=$(usex test)
- -DCMAKE_DISABLE_FIND_PACKAGE_GROMACS=$(usex !gromacs)
- -DBUILD_CSGAPPS=ON
- -DINSTALL_RC_FILES=OFF
- -DCMAKE_DISABLE_FIND_PACKAGE_MKL=ON
- )
- cmake_src_configure
-}
-
-pkg_postinst() {
- einfo
- einfo "Please read and cite:"
- einfo "VOTCA-XTP, J. Chem. Theo. Comp. 14, 6353 (2018)"
- einfo "https://doi.org/10.1021/acs.jctc.8b00617";
- einfo
- einfo "VOTCA, J. Chem. Theory Comput. 5, 3211 (2009). "
- einfo "https://dx.doi.org/10.1021/ct900369w";
- einfo
-}
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca/
commit: 0327d02cf9b0bc7399ccc57d8e3431100cbf35d9
Author: Sam James gentoo org>
AuthorDate: Tue Apr 23 20:30:09 2024 +
Commit: Sam James gentoo org>
CommitDate: Tue Apr 23 20:33:27 2024 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=0327d02c
sci-chemistry/votca: add subslot dep on sci-libs/hdf5
Signed-off-by: Sam James gentoo.org>
sci-chemistry/votca/{votca-2022.1.ebuild => votca-2022.1-r1.ebuild} | 4 ++--
sci-chemistry/votca/votca-.ebuild | 4 ++--
2 files changed, 4 insertions(+), 4 deletions(-)
diff --git a/sci-chemistry/votca/votca-2022.1.ebuild
b/sci-chemistry/votca/votca-2022.1-r1.ebuild
similarity index 96%
rename from sci-chemistry/votca/votca-2022.1.ebuild
rename to sci-chemistry/votca/votca-2022.1-r1.ebuild
index f6ccde06ed4a..ad5aa680498e 100644
--- a/sci-chemistry/votca/votca-2022.1.ebuild
+++ b/sci-chemistry/votca/votca-2022.1-r1.ebuild
@@ -1,4 +1,4 @@
-# Copyright 1999-2023 Gentoo Authors
+# Copyright 1999-2024 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
EAPI=7
@@ -41,7 +41,7 @@ RDEPEND="
sci-libs/fftw:3.0=
dev-lang/perl
gromacs? ( sci-chemistry/gromacs:=[gmxapi-legacy(+)] )
- sci-libs/hdf5[cxx]
+ sci-libs/hdf5:=[cxx]
sci-libs/libxc
sci-libs/libint:2
"
diff --git a/sci-chemistry/votca/votca-.ebuild
b/sci-chemistry/votca/votca-.ebuild
index 5c883cbd44b8..04064219f641 100644
--- a/sci-chemistry/votca/votca-.ebuild
+++ b/sci-chemistry/votca/votca-.ebuild
@@ -1,4 +1,4 @@
-# Copyright 1999-2023 Gentoo Authors
+# Copyright 1999-2024 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
EAPI=7
@@ -41,7 +41,7 @@ RDEPEND="
sci-libs/fftw:3.0=
dev-lang/perl
gromacs? ( sci-chemistry/gromacs:=[gmxapi-legacy(+)] )
- sci-libs/hdf5[cxx]
+ sci-libs/hdf5:=[cxx]
sci-libs/libxc
sci-libs/libint:2
"
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca/
commit: fbd1c19d15b9c9b97838b91a0f9460fd1ec71a3c
Author: Arthur Zamarin gentoo org>
AuthorDate: Sat Dec 16 16:17:02 2023 +
Commit: Arthur Zamarin gentoo org>
CommitDate: Sat Dec 16 16:17:02 2023 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=fbd1c19d
sci-chemistry/votca: Stabilize 2022.1 amd64, #920126
Signed-off-by: Arthur Zamarin gentoo.org>
sci-chemistry/votca/votca-2022.1.ebuild | 2 +-
1 file changed, 1 insertion(+), 1 deletion(-)
diff --git a/sci-chemistry/votca/votca-2022.1.ebuild
b/sci-chemistry/votca/votca-2022.1.ebuild
index 22872e4c773c..f6ccde06ed4a 100644
--- a/sci-chemistry/votca/votca-2022.1.ebuild
+++ b/sci-chemistry/votca/votca-2022.1.ebuild
@@ -16,7 +16,7 @@ else
MY_PV="${PV}"
fi
SRC_URI="https://github.com/votca/votca/archive/v${MY_PV}.tar.gz ->
${P}.tar.gz"
- KEYWORDS="~amd64 ~x86 ~amd64-linux"
+ KEYWORDS="amd64 ~x86 ~amd64-linux"
S="${WORKDIR}/votca-${MY_PV}"
fi
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca/
commit: 8f054f25a3dbc089f1443c410604abafc213f1e2
Author: Pacho Ramos gentoo org>
AuthorDate: Sat May 6 13:35:49 2023 +
Commit: Pacho Ramos gentoo org>
CommitDate: Sat May 6 13:36:10 2023 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=8f054f25
sci-chemistry/votca: enable py3.11
Closes: https://bugs.gentoo.org/897206
Signed-off-by: Pacho Ramos gentoo.org>
sci-chemistry/votca/votca-2022.1.ebuild | 2 +-
1 file changed, 1 insertion(+), 1 deletion(-)
diff --git a/sci-chemistry/votca/votca-2022.1.ebuild
b/sci-chemistry/votca/votca-2022.1.ebuild
index 5c883cbd44b8..22872e4c773c 100644
--- a/sci-chemistry/votca/votca-2022.1.ebuild
+++ b/sci-chemistry/votca/votca-2022.1.ebuild
@@ -2,7 +2,7 @@
# Distributed under the terms of the GNU General Public License v2
EAPI=7
-PYTHON_COMPAT=( python3_{9..10} )
+PYTHON_COMPAT=( python3_{9..11} )
inherit bash-completion-r1 cmake python-single-r1
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca/
commit: f71992f304dd2dc178bd633057ff5481212cf8ee
Author: Christoph Junghans gentoo org>
AuthorDate: Fri Dec 23 16:43:42 2022 +
Commit: Christoph Junghans gentoo org>
CommitDate: Fri Dec 23 16:43:42 2022 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=f71992f3
sci-chemistry/votca: version bump
Package-Manager: Portage-3.0.30, Repoman-3.0.3
Signed-off-by: Christoph Junghans gentoo.org>
sci-chemistry/votca/Manifest| 1 +
sci-chemistry/votca/votca-2022.1.ebuild | 80 +
2 files changed, 81 insertions(+)
diff --git a/sci-chemistry/votca/Manifest b/sci-chemistry/votca/Manifest
index 84be7c9f6881..a1f13dfe694f 100644
--- a/sci-chemistry/votca/Manifest
+++ b/sci-chemistry/votca/Manifest
@@ -1 +1,2 @@
+DIST votca-2022.1.tar.gz 61692029 BLAKE2B
c58023098f596d7c6f301e94883df3e442761b8c1009823ef5a07e788fabb2a0fa572326e0d614f8102104ef5dcec89505da1c911bb703126c123d2a25a2031e
SHA512
dda5cbf1835440abd1b0b511275e10e5facfa9f133062ae082cca4f5654e4af0be0b574b87c70004c0d07920519927bac5620b89ce073de9985bdf792f0dd21a
DIST votca-2022.tar.gz 61688862 BLAKE2B
a6a8d1c34e2cd992d032730b2669c9ac5489b988fc334f730eaf1a40b275cc2fad8b24f03419510fe9fee7b0ad0bedf43f9b22b44ca1ae0178b16c9b255da53c
SHA512
ea5b7405872a2c0c8d6b4b86148a605b5e83207f1953f0b7393dabbb106ac785c50b45462f6271fbfad04c0246704a92199943acc65eb30d7f1a0a6d6ee4ab83
diff --git a/sci-chemistry/votca/votca-2022.1.ebuild
b/sci-chemistry/votca/votca-2022.1.ebuild
new file mode 100644
index ..0962e065f91d
--- /dev/null
+++ b/sci-chemistry/votca/votca-2022.1.ebuild
@@ -0,0 +1,80 @@
+# Copyright 1999-2022 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=7
+PYTHON_COMPAT=( python3_{8..10} )
+
+inherit bash-completion-r1 cmake python-single-r1
+
+if [[ ${PV} == * ]]; then
+ inherit git-r3
+ EGIT_REPO_URI="https://github.com/votca/votca.git";
+else
+ if [[ ${PV} = *_rc[1-9] ]]; then
+ MY_PV="${PV%%_rc*}-rc.${PV##*_rc}"
+ else
+ MY_PV="${PV}"
+ fi
+ SRC_URI="https://github.com/votca/votca/archive/v${MY_PV}.tar.gz ->
${P}.tar.gz"
+ KEYWORDS="~amd64 ~x86 ~amd64-linux"
+ S="${WORKDIR}/votca-${MY_PV}"
+fi
+
+DESCRIPTION="Versatile Object-oriented Toolkit for Coarse-graining
Applications"
+HOMEPAGE="https://www.votca.org/";
+
+LICENSE="Apache-2.0"
+SLOT="0"
+IUSE="+gromacs test"
+REQUIRED_USE="${PYTHON_REQUIRED_USE}"
+RESTRICT="!test? ( test )"
+
+RDEPEND="
+ !sci-libs/votca-tools
+ !sci-chemistry/votca-csg
+ !sci-chemistry/votca-xtp
+ ${PYTHON_DEPS}
+ app-shells/bash:*
+ >=dev-cpp/eigen-3.3
+ dev-libs/boost:=
+ dev-libs/expat
+ sci-libs/fftw:3.0=
+ dev-lang/perl
+ gromacs? ( sci-chemistry/gromacs:=[gmxapi-legacy(+)] )
+ sci-libs/hdf5[cxx]
+ sci-libs/libxc
+ sci-libs/libint:2
+"
+DEPEND="${RDEPEND}"
+BDEPEND="virtual/pkgconfig"
+
+DOCS=( README.rst NOTICE.rst CHANGELOG.rst )
+
+src_prepare() {
+ # espressopp was removed from gentoo
+ rm -r ./csg-tutorials/spce/ibi_espressopp || die
+ python_fix_shebang .
+ cmake_src_prepare
+}
+
+src_configure() {
+ local mycmakeargs=(
+ -DENABLE_TESTING=$(usex test)
+ -DCMAKE_DISABLE_FIND_PACKAGE_GROMACS=$(usex !gromacs)
+ -DBUILD_CSGAPPS=ON
+ -DINSTALL_RC_FILES=OFF
+ -DCMAKE_DISABLE_FIND_PACKAGE_MKL=ON
+ )
+ cmake_src_configure
+}
+
+pkg_postinst() {
+ einfo
+ einfo "Please read and cite:"
+ einfo "VOTCA-XTP, J. Chem. Theo. Comp. 14, 6353 (2018)"
+ einfo "https://doi.org/10.1021/acs.jctc.8b00617";
+ einfo
+ einfo "VOTCA, J. Chem. Theory Comput. 5, 3211 (2009). "
+ einfo "https://dx.doi.org/10.1021/ct900369w";
+ einfo
+}
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca-csg/
commit: 2c05b0b7a7be32f4f6bb5b5a6ac4505a3d8efde6
Author: Christoph Junghans gentoo org>
AuthorDate: Wed Nov 4 16:07:47 2020 +
Commit: Christoph Junghans gentoo org>
CommitDate: Wed Nov 4 16:07:47 2020 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=2c05b0b7
sci-chemistry/votca-csg: fix build
Closes: https://bugs.gentoo.org/752420
Package-Manager: Portage-2.3.103, Repoman-2.3.23
Signed-off-by: Christoph Junghans gentoo.org>
sci-chemistry/votca-csg/votca-csg-.ebuild | 2 +-
1 file changed, 1 insertion(+), 1 deletion(-)
diff --git a/sci-chemistry/votca-csg/votca-csg-.ebuild
b/sci-chemistry/votca-csg/votca-csg-.ebuild
index 973d3156101..426d1572404 100644
--- a/sci-chemistry/votca-csg/votca-csg-.ebuild
+++ b/sci-chemistry/votca-csg/votca-csg-.ebuild
@@ -40,7 +40,7 @@ DEPEND="${RDEPEND}
>=app-text/txt2tags-2.5
virtual/pkgconfig"
-DOCS=( README.rst NOTICE CHANGELOG.rst )
+DOCS=( README.rst NOTICE.rst CHANGELOG.rst )
src_unpack() {
if [[ ${PV} != * ]]; then
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca-xtp/
commit: fb448cd504da31d7ea98396e14c03199693ece40
Author: Andreas Sturmlechner gentoo org>
AuthorDate: Sun Feb 28 13:03:57 2021 +
Commit: Andreas Sturmlechner gentoo org>
CommitDate: Sun Feb 28 18:08:16 2021 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=fb448cd5
sci-chemistry/votca-xtp: Fix EAPI-7 bump, drop unused multilib
CMAKE_MAKEFILE_GENERATOR=ninja is default in EAPI-7/cmake.eclass
Use https
Use double brackets
Sort RDEPEND
Use BDEPEND
Package-Manager: Portage-3.0.16, Repoman-3.0.2
Signed-off-by: Andreas Sturmlechner gentoo.org>
sci-chemistry/votca-xtp/votca-xtp-1.6.4.ebuild | 28 --
sci-chemistry/votca-xtp/votca-xtp-.ebuild | 28 --
2 files changed, 26 insertions(+), 30 deletions(-)
diff --git a/sci-chemistry/votca-xtp/votca-xtp-1.6.4.ebuild
b/sci-chemistry/votca-xtp/votca-xtp-1.6.4.ebuild
index fc37002f5a3..d9f436b0316 100644
--- a/sci-chemistry/votca-xtp/votca-xtp-1.6.4.ebuild
+++ b/sci-chemistry/votca-xtp/votca-xtp-1.6.4.ebuild
@@ -3,35 +3,33 @@
EAPI=7
-CMAKE_MAKEFILE_GENERATOR="ninja"
+inherit bash-completion-r1 cmake
-inherit bash-completion-r1 cmake multilib
-
-IUSE=""
-if [ "${PV}" != "" ]; then
+if [[ ${PV} == * ]]; then
+ inherit git-r3
+ EGIT_REPO_URI="https://github.com/${PN/-//}.git";
+else
SRC_URI="https://github.com/${PN/-//}/archive/v${PV}.tar.gz ->
${P}.tar.gz"
KEYWORDS="~amd64 ~x86 ~amd64-linux"
S="${WORKDIR}/${P#votca-}"
-else
- inherit git-r3
- EGIT_REPO_URI="https://github.com/${PN/-//}.git";
fi
DESCRIPTION="Votca excitation and charge properties module"
-HOMEPAGE="http://www.votca.org";
+HOMEPAGE="https://www.votca.org/";
LICENSE="Apache-2.0"
SLOT="0"
+IUSE=""
RDEPEND="
- ~sci-libs/votca-tools-${PV}
>=dev-cpp/eigen-3.3
- sci-libs/hdf5[cxx]
~sci-chemistry/votca-csg-${PV}
- sci-libs/libxc"
-
-DEPEND="${RDEPEND}
- virtual/pkgconfig"
+ sci-libs/hdf5[cxx]
+ sci-libs/libxc
+ ~sci-libs/votca-tools-${PV}
+"
+DEPEND="${RDEPEND}"
+BDEPEND="virtual/pkgconfig"
DOCS=( README.md NOTICE CHANGELOG.md )
diff --git a/sci-chemistry/votca-xtp/votca-xtp-.ebuild
b/sci-chemistry/votca-xtp/votca-xtp-.ebuild
index fc37002f5a3..d9f436b0316 100644
--- a/sci-chemistry/votca-xtp/votca-xtp-.ebuild
+++ b/sci-chemistry/votca-xtp/votca-xtp-.ebuild
@@ -3,35 +3,33 @@
EAPI=7
-CMAKE_MAKEFILE_GENERATOR="ninja"
+inherit bash-completion-r1 cmake
-inherit bash-completion-r1 cmake multilib
-
-IUSE=""
-if [ "${PV}" != "" ]; then
+if [[ ${PV} == * ]]; then
+ inherit git-r3
+ EGIT_REPO_URI="https://github.com/${PN/-//}.git";
+else
SRC_URI="https://github.com/${PN/-//}/archive/v${PV}.tar.gz ->
${P}.tar.gz"
KEYWORDS="~amd64 ~x86 ~amd64-linux"
S="${WORKDIR}/${P#votca-}"
-else
- inherit git-r3
- EGIT_REPO_URI="https://github.com/${PN/-//}.git";
fi
DESCRIPTION="Votca excitation and charge properties module"
-HOMEPAGE="http://www.votca.org";
+HOMEPAGE="https://www.votca.org/";
LICENSE="Apache-2.0"
SLOT="0"
+IUSE=""
RDEPEND="
- ~sci-libs/votca-tools-${PV}
>=dev-cpp/eigen-3.3
- sci-libs/hdf5[cxx]
~sci-chemistry/votca-csg-${PV}
- sci-libs/libxc"
-
-DEPEND="${RDEPEND}
- virtual/pkgconfig"
+ sci-libs/hdf5[cxx]
+ sci-libs/libxc
+ ~sci-libs/votca-tools-${PV}
+"
+DEPEND="${RDEPEND}"
+BDEPEND="virtual/pkgconfig"
DOCS=( README.md NOTICE CHANGELOG.md )
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca-csgapps/
commit: 700140c89f9c3fab55d9ae62d32b322c22dabbb4
Author: Andreas Sturmlechner gentoo org>
AuthorDate: Sun Feb 28 12:58:27 2021 +
Commit: Andreas Sturmlechner gentoo org>
CommitDate: Sun Feb 28 18:08:15 2021 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=700140c8
sci-chemistry/votca-csgapps: Drop CMAKE_MAKEFILE_GENERATOR=ninja
CMAKE_MAKEFILE_GENERATOR=ninja is default in EAPI-7/cmake.eclass
Use https
Use double brackets
Package-Manager: Portage-3.0.16, Repoman-3.0.2
Signed-off-by: Andreas Sturmlechner gentoo.org>
sci-chemistry/votca-csgapps/votca-csgapps-1.6.4.ebuild | 16 +++-
1 file changed, 7 insertions(+), 9 deletions(-)
diff --git a/sci-chemistry/votca-csgapps/votca-csgapps-1.6.4.ebuild
b/sci-chemistry/votca-csgapps/votca-csgapps-1.6.4.ebuild
index 4561252274c..bc3c61b39c2 100644
--- a/sci-chemistry/votca-csgapps/votca-csgapps-1.6.4.ebuild
+++ b/sci-chemistry/votca-csgapps/votca-csgapps-1.6.4.ebuild
@@ -3,21 +3,19 @@
EAPI=7
-CMAKE_MAKEFILE_GENERATOR="ninja"
-
inherit cmake
-if [ "${PV}" != "" ]; then
+if [[ ${PV} == * ]]; then
+ inherit git-r3
+ EGIT_REPO_URI="https://github.com/${PN/-//}.git";
+else
SRC_URI="https://github.com/${PN/-//}/archive/v${PV}.tar.gz ->
${P}.tar.gz"
KEYWORDS="~amd64 ~x86 ~amd64-linux"
S="${WORKDIR}/${P#votca-}"
-else
- inherit git-r3
- EGIT_REPO_URI="https://github.com/${PN/-//}.git";
fi
DESCRIPTION="Extra applications for votca-csg"
-HOMEPAGE="http://www.votca.org";
+HOMEPAGE="https://www.votca.org/";
LICENSE="Apache-2.0"
SLOT="0"
@@ -25,8 +23,8 @@ IUSE=""
RDEPEND="
>=dev-cpp/eigen-3.3
- ~sci-chemistry/${PN%apps}-${PV}"
-
+ ~sci-chemistry/${PN%apps}-${PV}
+"
DEPEND="${RDEPEND}"
DOCS=( README.md )
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca-csg/
commit: 17c2488c366953bf6fe189cde24aa4641935eeec
Author: Andreas Sturmlechner gentoo org>
AuthorDate: Sun Feb 28 12:48:00 2021 +
Commit: Andreas Sturmlechner gentoo org>
CommitDate: Sun Feb 28 18:08:15 2021 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=17c2488c
sci-chemistry/votca-csg: Fix EAPI-7 bump, drop unused multilib
CMAKE_MAKEFILE_GENERATOR=ninja is default in EAPI-7/cmake.eclass
Use https
Use double brackets
Sort RDEPEND
Use BDEPEND
local mycmakeargs
Package-Manager: Portage-3.0.16, Repoman-3.0.2
Signed-off-by: Andreas Sturmlechner gentoo.org>
sci-chemistry/votca-csg/votca-csg-1.6.4.ebuild | 46 +-
sci-chemistry/votca-csg/votca-csg-.ebuild | 42 +++
2 files changed, 44 insertions(+), 44 deletions(-)
diff --git a/sci-chemistry/votca-csg/votca-csg-1.6.4.ebuild
b/sci-chemistry/votca-csg/votca-csg-1.6.4.ebuild
index 758dcc378f9..4a22a2fb766 100644
--- a/sci-chemistry/votca-csg/votca-csg-1.6.4.ebuild
+++ b/sci-chemistry/votca-csg/votca-csg-1.6.4.ebuild
@@ -3,62 +3,62 @@
EAPI=7
-CMAKE_MAKEFILE_GENERATOR="ninja"
+inherit bash-completion-r1 cmake
-inherit bash-completion-r1 cmake multilib
-
-IUSE="doc examples extras +gromacs hdf5"
-PDEPEND="extras? ( ~sci-chemistry/${PN}apps-${PV} )"
-if [ "${PV}" != "" ]; then
+if [[ ${PV} == * ]]; then
+ inherit git-r3
+ EGIT_REPO_URI="https://github.com/${PN/-//}.git";
+ PDEPEND="${PDEPEND} doc? ( ~app-doc/${PN}-manual-${PV} )"
+else
SRC_URI="https://github.com/${PN/-//}/archive/v${PV}.tar.gz ->
${P}.tar.gz
doc? (
https://github.com/${PN/-//}-manual/releases/download/v${PV}/${PN}-manual-${PV}.pdf
)
examples? (
https://github.com/${PN/-//}-tutorials/archive/v${PV}.tar.gz ->
${PN}-tutorials-${PV}.tar.gz )"
KEYWORDS="~amd64 ~x86 ~amd64-linux"
S="${WORKDIR}/${P#votca-}"
-else
- inherit git-r3
- EGIT_REPO_URI="https://github.com/${PN/-//}.git";
- PDEPEND="${PDEPEND} doc? ( ~app-doc/${PN}-manual-${PV} )"
+ PDEPEND="extras? ( ~sci-chemistry/${PN}apps-${PV} )"
fi
DESCRIPTION="Votca coarse-graining engine"
-HOMEPAGE="http://www.votca.org";
+HOMEPAGE="https://www.votca.org/";
LICENSE="Apache-2.0"
SLOT="0"
+IUSE="doc examples extras +gromacs hdf5"
RDEPEND="
- ~sci-libs/votca-tools-${PV}
+ app-shells/bash:*
>=dev-cpp/eigen-3.3
+ dev-lang/perl
+ ~sci-libs/votca-tools-${PV}
gromacs? ( sci-chemistry/gromacs:= )
hdf5? ( sci-libs/hdf5 )
- dev-lang/perl
- app-shells/bash:*"
-
-DEPEND="${RDEPEND}
+"
+DEPEND="${RDEPEND}"
+BDEPEND="
>=app-text/txt2tags-2.5
- virtual/pkgconfig"
+ virtual/pkgconfig
+"
DOCS=( README.md NOTICE CHANGELOG.md )
src_unpack() {
- if [[ ${PV} != * ]]; then
- default
- else
+ if [[ ${PV} == * ]]; then
git-r3_src_unpack
if use examples; then
EGIT_REPO_URI="https://github.com/${PN/-//}-tutorials.git";
EGIT_BRANCH="master"
- EGIT_CHECKOUT_DIR="${WORKDIR}/${PN#votca-}-tutorials"\
+ EGIT_CHECKOUT_DIR="${WORKDIR}/${PN#votca-}-tutorials" \
git-r3_src_unpack
fi
+ else
+ default
fi
}
src_configure() {
- mycmakeargs=(
+ local mycmakeargs=(
-DWITH_GMX=$(usex gromacs)
- -DCMAKE_DISABLE_FIND_PACKAGE_HDF5=$(usex '!hdf5')
+ -DCMAKE_DISABLE_FIND_PACKAGE_HDF5=$(usex !hdf5)
-DWITH_RC_FILES=OFF
)
cmake_src_configure
diff --git a/sci-chemistry/votca-csg/votca-csg-.ebuild
b/sci-chemistry/votca-csg/votca-csg-.ebuild
index dd12065fadb..358ce54951d 100644
--- a/sci-chemistry/votca-csg/votca-csg-.ebuild
+++ b/sci-chemistry/votca-csg/votca-csg-.ebuild
@@ -3,59 +3,59 @@
EAPI=7
-CMAKE_MAKEFILE_GENERATOR="ninja"
+inherit bash-completion-r1 cmake
-inherit bash-completion-r1 cmake multilib
-
-IUSE="doc examples extras +gromacs hdf5"
-if [ "${PV}" != "" ]; then
+if [[ ${PV} == * ]]; then
+ inherit git-r3
+ EGIT_REPO_URI="https://github.com/${PN/-//}.git";
+else
SRC_URI="https://github.com/${PN/-//}/archive/v${PV}.tar.gz ->
${P}.tar.gz
examples? (
https://github.com/${PN/-//}-tutorials/archive/v${PV}.tar.gz ->
${PN}-tutorials-${PV}.tar.gz )"
KEYWORDS="~amd64 ~x86 ~amd64-linux"
S="${WORKDIR}/${P#votca-}"
-else
- inherit git-r3
- EGIT_REPO_URI="https://github.com/${PN/-//}.git";
fi
DESCRIPTION="Votca coarse-graining engine"
-HOMEPAGE="http://www.votca.org";
+HOMEPAGE="https://www.votca.org/";
LICENSE="Apache-2.0"
SLOT="0"
+IUSE="doc examples extras +gromacs hdf5"
RDEPEND="
- ~sci-libs/votca-tools-${PV}
+ app-shells/bash:*
>=dev
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca-csg/
commit: 56222b541809f67543d951098abdcc1267ee9043
Author: Andreas Sturmlechner gentoo org>
AuthorDate: Mon Apr 5 12:41:39 2021 +
Commit: Andreas Sturmlechner gentoo org>
CommitDate: Mon Apr 5 16:53:22 2021 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=56222b54
sci-chemistry/votca-csg: Drop 1.6
Bug: https://bugs.gentoo.org/773175
Package-Manager: Portage-3.0.18, Repoman-3.0.3
Signed-off-by: Andreas Sturmlechner gentoo.org>
sci-chemistry/votca-csg/Manifest | 3 -
sci-chemistry/votca-csg/votca-csg-1.6.ebuild | 91
2 files changed, 94 deletions(-)
diff --git a/sci-chemistry/votca-csg/Manifest b/sci-chemistry/votca-csg/Manifest
index af9aecd9f35..c57ba965ec8 100644
--- a/sci-chemistry/votca-csg/Manifest
+++ b/sci-chemistry/votca-csg/Manifest
@@ -1,11 +1,8 @@
DIST votca-csg-1.5.1.tar.gz 708319 BLAKE2B
2ea75cf08dc3005bd08ebe85113d95743fe85bae4b7ac3c2e2d9b64be64a7103ecf30b9edf45cffa86b7588d5c57a0256aef02f4590fa6031cb63881480bd0fd
SHA512
3559452182c325d5df72918ec6e12122c8214df9733d779c123ff199597fe47fc493fd75adf1f5dbc6b55016373863378ba3cc69fb6b61bc1531c6e591d8131c
DIST votca-csg-1.6.4.tar.gz 537966 BLAKE2B
c9ccc3aa28bdc4a2a2c080104b70602d8cf4be19a71e7d0b4a1c03d11f54b645984103d1662823a9308a4e4c4baedef731de06ff314b168f89e7326c0d3c8ee9
SHA512
4cdbf6c0a593720675f48f574ff9a93d038a48037543c1e09a4559d3eb262a2d8bf83d5f5dab85b4820a541e0c57f7cca78315d5b3382763e8acd8cc0fcb65ac
-DIST votca-csg-1.6.tar.gz 464175 BLAKE2B
1871c7edc4b4e848a06049a7c687e906f166312777bdbf5c65be8efe8d5032582fdca9dc7eca453b7013901f409326b0583c79731c68fa2b4e6366f021958b0b
SHA512
76cda93023d46a66ae31edcec0ece709ddc70a9be9d098721b945006c197ed3b6cbd1e643158797be518c4fe66f7b23d3e8d8735cbd9e155db3db0d79929cfbe
DIST votca-csg-2021.tar.gz 4300573 BLAKE2B
ba589c97f22888b8a1a12c71314133c08c89e44c201bafa6e5f1d74dfe90c87dd84a5d1c2883b26402858b6aa990d37add57bdfb9db6836a7c287f0685a40a59
SHA512
8eacf4045ddc13d33e853cd35a67d03dfb63da60c3e879ea4f16e63f27a92aa13cbf4e367d9258778c9c09462443e4bb2b937c247c6246377ceeecf56bc6fc12
DIST votca-csg-manual-1.5.1.pdf 1263719 BLAKE2B
29e2ce27215787a1121e45ec1e88ce7c61ba81709a2519aa0959eede505498b9aaf4f38666bb1a4f97837c98b862e7ed02405da07294a7ec76cc80390fe72e0d
SHA512
7d9fb4c635383e1b9c9547691f8729e19f273fcafc4dab2a6b438b3ce98ea05bd31887d09bc4edc86ceb0b04d71a4371aed7aadc3ba6864f7be2ef3328ede642
DIST votca-csg-manual-1.6.4.pdf 1242124 BLAKE2B
003a255d2869c8185f9e03038f646a80b682be3daceb18757c791f5d52101379402aee20c5dcb65ef8ce651bd6f6590ad5249e835e53ce92e04eb33214017a9e
SHA512
36956acd24a21cb0a1dd26d6640b41b7473132948327c05856191b4f9531b4d1d5f98be68a9d1a847935d47633d483e87c2300634233a6e617a010c1fb563690
-DIST votca-csg-manual-1.6.pdf 1248178 BLAKE2B
5213d55787041db81fe8563febbf130db6aed9233e569039b66d69cfb173131353d45bef824640ee7b0a3fed7821ede4d5a6ce6ffc14d1548499317afdc0248a
SHA512
e91d4b8397b67808c9671b9adbaad41fd9a0ede90066e220839d86f21a9bbcd4e433534faf1dfbca106d55af5a6cce0425a5bdfa3eb30ebe14469594da0129ca
DIST votca-csg-tutorials-1.5.1.tar.gz 5949467 BLAKE2B
c6de6084fbb1d2c4ac2ce75d01a1153eabc63386063de800ff2dc6b483b0568191e7f06ddcb8be46123224ccfd3a97f5fb4e7cd603c0ee99a8636d7143f6c701
SHA512
f2e709ae31d914fe12a4ce37b5019deb878b15ade14972f2a8204bec8970ba2c8946b71b94a5bfd6f7569e41173bfbc75275ea09cbee4358ad1de0e84751049c
DIST votca-csg-tutorials-1.6.4.tar.gz 5944389 BLAKE2B
66f1d4947bb28ec602250226ad2c08cc02278a90776acbcadca2df3078361435fb2353ee0fa299d0d19697d36682f20aab709d45539d5ac7e7070942601ebc3f
SHA512
7e40037f2e70c861fd7f5c63806c17ad56672a340a8795fa745414940c55f593bef32b9f6b9050400131ed9e66aa927149e9d324a1c264364d8504baf1921e28
-DIST votca-csg-tutorials-1.6.tar.gz 5946764 BLAKE2B
018bd00c86c0a85baf35afd2ea4206c96dee8f948dcbf331b53e6f685b69bf2c909731b15ba3261c86cee9e1960ec5cfa7b2ee0c6dcfac110789840184ad
SHA512
36d3a66c19d230f2002170851345da7063aeef1f29841945b8a182f73922617823815dde5d7289fb0f80e771ac03780adacdf95af4814235edbf69a4772b3696
DIST votca-csg-tutorials-2021.tar.gz 5942031 BLAKE2B
60ef492c98bf07b5169c6f1be2298b6dac76003ef9981064463de9fdae649c215d469424e253d06b63637bb3eee9383c587a98322ab987995f8b4861bb0002e1
SHA512
844706407cb91d507c6b0433e23f4b27756dd4c882f6cef79d51f2b2acae6cd0114ccd91d626d090d0f61c58a57cc3c1eda0a0d10d6f4bfa522eda7ee8de21b3
diff --git a/sci-chemistry/votca-csg/votca-csg-1.6.ebuild
b/sci-chemistry/votca-csg/votca-csg-1.6.ebuild
deleted file mode 100644
index 6af82c74dd7..000
--- a/sci-chemistry/votca-csg/votca-csg-1.6.ebuild
+++ /dev/null
@@ -1,91 +0,0 @@
-# Copyright 1999-2021 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=7
-
-CMAKE_MAKEFILE_GENERATOR="ninja"
-
-inherit bash-completion-r1 cmake-utils multilib
-
-IUSE="doc examples extras +gromacs hdf5"
-PDEPEND="extras? ( ~sci-chemistry/${PN}apps-${PV} )"
-if [ "${PV}" != "" ]; then
- SRC_URI="https://github.com/${PN/-//}/archive/v${PV}.tar.gz ->
${P}.ta
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca-csgapps/
commit: 854bee697580647f1d63d341b446c4b5e7d42619
Author: Andreas Sturmlechner gentoo org>
AuthorDate: Mon Apr 5 12:42:04 2021 +
Commit: Andreas Sturmlechner gentoo org>
CommitDate: Mon Apr 5 16:53:22 2021 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=854bee69
sci-chemistry/votca-csgapps: Drop 1.6
Bug: https://bugs.gentoo.org/773175
Package-Manager: Portage-3.0.18, Repoman-3.0.3
Signed-off-by: Andreas Sturmlechner gentoo.org>
sci-chemistry/votca-csgapps/Manifest | 1 -
.../votca-csgapps/votca-csgapps-1.6.ebuild | 32 --
2 files changed, 33 deletions(-)
diff --git a/sci-chemistry/votca-csgapps/Manifest
b/sci-chemistry/votca-csgapps/Manifest
index 3db30f3005f..8866d8c21f5 100644
--- a/sci-chemistry/votca-csgapps/Manifest
+++ b/sci-chemistry/votca-csgapps/Manifest
@@ -1,3 +1,2 @@
DIST votca-csgapps-1.5.1.tar.gz 26006 BLAKE2B
8651978c15087fc7332fe229cfc33d8c4257faf46d72f7ac5fbaaf5f31133c4df3d97cae2b18730b5700e742c27e3db39696fdfe910ed884952ba0f832220c3d
SHA512
4f83a46f16eb0a4cb9acc6c0d9523fa746dcf670107355c95fc02daa6ca91fb4f8d5e48bc920d8c13a9445390a25415f7217979903ea86f890df1d4704944c28
DIST votca-csgapps-1.6.4.tar.gz 19589 BLAKE2B
90a20c3acef3254b412697dbb543c216d4546241c2f98d8b1e6c7fbd2de5dc5268965f1035843c6832579158843069c610ebbf3363d2e604a1c7c3dc82e3d8d2
SHA512
89ea658092e979c90b9f3d75a8dd9f8ec95278c26fafb30c31a23581dcd7a65e52c8c7696ef14da5821e283d16ab96880041b7b20c9097f99b2fc1eac4a38184
-DIST votca-csgapps-1.6.tar.gz 20130 BLAKE2B
0c34fba42a70f756043aae89f51b94cc0a9c9a85680ed78c56b4c05f834d94c74aff59e4adf6155e5fab81d057da58ec420d843532af57beeaa6e81f82432d92
SHA512
5a85abaf6b09a225604f33f2e0cfb774525159e9bce89efd7ebfc0c9c37342e472503ff51c3065be2a4b87e95671f55164c630477f404f94b0510a83e262352f
diff --git a/sci-chemistry/votca-csgapps/votca-csgapps-1.6.ebuild
b/sci-chemistry/votca-csgapps/votca-csgapps-1.6.ebuild
deleted file mode 100644
index c3d00dcd7af..000
--- a/sci-chemistry/votca-csgapps/votca-csgapps-1.6.ebuild
+++ /dev/null
@@ -1,32 +0,0 @@
-# Copyright 1999-2021 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=7
-
-CMAKE_MAKEFILE_GENERATOR="ninja"
-
-inherit cmake-utils
-
-if [ "${PV}" != "" ]; then
- SRC_URI="https://github.com/${PN/-//}/archive/v${PV}.tar.gz ->
${P}.tar.gz"
- KEYWORDS="amd64 x86 ~amd64-linux"
- S="${WORKDIR}/${P#votca-}"
-else
- inherit git-r3
- EGIT_REPO_URI="https://github.com/${PN/-//}.git";
-fi
-
-DESCRIPTION="Extra applications for votca-csg"
-HOMEPAGE="http://www.votca.org";
-
-LICENSE="Apache-2.0"
-SLOT="0"
-IUSE=""
-
-RDEPEND="
- >=dev-cpp/eigen-3.3
- ~sci-chemistry/${PN%apps}-${PV}"
-
-DEPEND="${RDEPEND}"
-
-DOCS=( README.md )
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca-xtp/
commit: fb7028810b56e7c4f1b4c1dcb1d4dcb04f5bf80e
Author: Andreas Sturmlechner gentoo org>
AuthorDate: Mon Apr 5 12:40:36 2021 +
Commit: Andreas Sturmlechner gentoo org>
CommitDate: Mon Apr 5 16:53:21 2021 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=fb702881
sci-chemistry/votca-xtp: Drop 1.6
Bug: https://bugs.gentoo.org/773175
Package-Manager: Portage-3.0.18, Repoman-3.0.3
Signed-off-by: Andreas Sturmlechner gentoo.org>
sci-chemistry/votca-xtp/Manifest | 1 -
sci-chemistry/votca-xtp/votca-xtp-1.6.ebuild | 44
2 files changed, 45 deletions(-)
diff --git a/sci-chemistry/votca-xtp/Manifest b/sci-chemistry/votca-xtp/Manifest
index 629203b5c08..9c68f44fdff 100644
--- a/sci-chemistry/votca-xtp/Manifest
+++ b/sci-chemistry/votca-xtp/Manifest
@@ -1,3 +1,2 @@
DIST votca-xtp-1.6.4.tar.gz 1405299 BLAKE2B
9d4e9d3f87e0c6be886df77bf52f9d8c0b4010fb1d77621a51b739986f3f5d70c85637c0d7b4d6a8a06d7dfc7e70ff5491bdc833a1b9da6fe1e8a9742a82d220
SHA512
f35e9605f4ac92547c801b254de792b5c3bf40200e8636869467997412357251df08f88ad851bc76cb0ba15428f06f28dbd4f64043a7612273468c8d653e52af
-DIST votca-xtp-1.6.tar.gz 1404955 BLAKE2B
1599281ea1cd6b5a93b1d91f69a793af7bb9cd2fbf70157e5d40a5bfc72f973f3d97338f92157c2c482ad041f8afda298282b1f83dda66d0bb189bdc07bb5a23
SHA512
cb99c31fe7f1af53b8ccf50cc9cc304ed5c5b5d1a165e1a72a456c0bbf5ac8bb9263c9eff829acc74be348192afbf80fd4d80a2c20d1dd5d7f909b1b50368670
DIST votca-xtp-2021.tar.gz 2192166 BLAKE2B
bcacdfe92b8c9fbbe2fe949d7096c09928ef7ece3cc4e40adbf58f2894036588762f9905bce1a1595bea99d1dfb8bcd99f395bed2ce7b94eeaf51b1c33719558
SHA512
1444fd0a64a684fd2b1327a9c3af067ea812190fa95cab5f3bfcc7aae932cc7469d07fc219871ca594496fbfe74e277d3b6ccfbd7d5c24c162623515ee2fef0b
diff --git a/sci-chemistry/votca-xtp/votca-xtp-1.6.ebuild
b/sci-chemistry/votca-xtp/votca-xtp-1.6.ebuild
deleted file mode 100644
index f05d152ddbf..000
--- a/sci-chemistry/votca-xtp/votca-xtp-1.6.ebuild
+++ /dev/null
@@ -1,44 +0,0 @@
-# Copyright 1999-2021 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=7
-
-CMAKE_MAKEFILE_GENERATOR="ninja"
-
-inherit bash-completion-r1 cmake-utils multilib
-
-IUSE=""
-if [ "${PV}" != "" ]; then
- SRC_URI="https://github.com/${PN/-//}/archive/v${PV}.tar.gz ->
${P}.tar.gz"
- KEYWORDS="amd64 x86 ~amd64-linux"
- S="${WORKDIR}/${P#votca-}"
-else
- inherit git-r3
- EGIT_REPO_URI="https://github.com/${PN/-//}.git";
-fi
-
-DESCRIPTION="Votca excitation and charge properties module"
-HOMEPAGE="http://www.votca.org";
-
-LICENSE="Apache-2.0"
-SLOT="0"
-
-RDEPEND="
- ~sci-libs/votca-tools-${PV}
- >=dev-cpp/eigen-3.3
- sci-libs/hdf5[cxx]
- ~sci-chemistry/votca-csg-${PV}
- sci-libs/libxc"
-
-DEPEND="${RDEPEND}
- virtual/pkgconfig"
-
-DOCS=( README.md NOTICE CHANGELOG.md )
-
-pkg_postinst() {
- einfo
- einfo "Please read and cite:"
- einfo "VOTCA-XTP, J. Chem. Theo. Comp. 14, 6353 (2018)"
- einfo "https://doi.org/10.1021/acs.jctc.8b00617";
- einfo
-}
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca-xtp/
commit: 5768773dcc09fb196c7596385566b5e2d046ce2c
Author: Agostino Sarubbo gentoo org>
AuthorDate: Sun Mar 28 10:01:54 2021 +
Commit: Agostino Sarubbo gentoo org>
CommitDate: Sun Mar 28 10:01:54 2021 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=5768773d
sci-chemistry/votca-xtp: x86 stable wrt bug #773175
Package-Manager: Portage-3.0.13, Repoman-3.0.2
RepoMan-Options: --include-arches="x86"
Signed-off-by: Agostino Sarubbo gentoo.org>
sci-chemistry/votca-xtp/votca-xtp-1.6.4.ebuild | 2 +-
1 file changed, 1 insertion(+), 1 deletion(-)
diff --git a/sci-chemistry/votca-xtp/votca-xtp-1.6.4.ebuild
b/sci-chemistry/votca-xtp/votca-xtp-1.6.4.ebuild
index 6278461fdd0..6a0bba5928b 100644
--- a/sci-chemistry/votca-xtp/votca-xtp-1.6.4.ebuild
+++ b/sci-chemistry/votca-xtp/votca-xtp-1.6.4.ebuild
@@ -10,7 +10,7 @@ if [[ ${PV} == * ]]; then
EGIT_REPO_URI="https://github.com/${PN/-//}.git";
else
SRC_URI="https://github.com/${PN/-//}/archive/v${PV}.tar.gz ->
${P}.tar.gz"
- KEYWORDS="amd64 ~x86 ~amd64-linux"
+ KEYWORDS="amd64 x86 ~amd64-linux"
S="${WORKDIR}/${P#votca-}"
fi
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca-csgapps/
commit: 94ff150c88e6801e0b4483f7541be81492aaeba5
Author: Agostino Sarubbo gentoo org>
AuthorDate: Sun Mar 28 10:01:50 2021 +
Commit: Agostino Sarubbo gentoo org>
CommitDate: Sun Mar 28 10:01:50 2021 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=94ff150c
sci-chemistry/votca-csgapps: x86 stable wrt bug #773175
Package-Manager: Portage-3.0.13, Repoman-3.0.2
RepoMan-Options: --include-arches="x86"
Signed-off-by: Agostino Sarubbo gentoo.org>
sci-chemistry/votca-csgapps/votca-csgapps-1.6.4.ebuild | 2 +-
1 file changed, 1 insertion(+), 1 deletion(-)
diff --git a/sci-chemistry/votca-csgapps/votca-csgapps-1.6.4.ebuild
b/sci-chemistry/votca-csgapps/votca-csgapps-1.6.4.ebuild
index 1599826e6ee..132c6fce401 100644
--- a/sci-chemistry/votca-csgapps/votca-csgapps-1.6.4.ebuild
+++ b/sci-chemistry/votca-csgapps/votca-csgapps-1.6.4.ebuild
@@ -10,7 +10,7 @@ if [[ ${PV} == * ]]; then
EGIT_REPO_URI="https://github.com/${PN/-//}.git";
else
SRC_URI="https://github.com/${PN/-//}/archive/v${PV}.tar.gz ->
${P}.tar.gz"
- KEYWORDS="amd64 ~x86 ~amd64-linux"
+ KEYWORDS="amd64 x86 ~amd64-linux"
S="${WORKDIR}/${P#votca-}"
fi
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca-csg/
commit: 4789b689d69cfa3f6400701f0043d4f93e4d5d79
Author: Agostino Sarubbo gentoo org>
AuthorDate: Sun Mar 28 10:01:48 2021 +
Commit: Agostino Sarubbo gentoo org>
CommitDate: Sun Mar 28 10:01:48 2021 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=4789b689
sci-chemistry/votca-csg: x86 stable wrt bug #773175
Package-Manager: Portage-3.0.13, Repoman-3.0.2
RepoMan-Options: --include-arches="x86"
Signed-off-by: Agostino Sarubbo gentoo.org>
sci-chemistry/votca-csg/votca-csg-1.6.4.ebuild | 2 +-
1 file changed, 1 insertion(+), 1 deletion(-)
diff --git a/sci-chemistry/votca-csg/votca-csg-1.6.4.ebuild
b/sci-chemistry/votca-csg/votca-csg-1.6.4.ebuild
index 54f02a8b2fa..12ea52d3312 100644
--- a/sci-chemistry/votca-csg/votca-csg-1.6.4.ebuild
+++ b/sci-chemistry/votca-csg/votca-csg-1.6.4.ebuild
@@ -13,7 +13,7 @@ else
SRC_URI="https://github.com/${PN/-//}/archive/v${PV}.tar.gz ->
${P}.tar.gz
doc? (
https://github.com/${PN/-//}-manual/releases/download/v${PV}/${PN}-manual-${PV}.pdf
)
examples? (
https://github.com/${PN/-//}-tutorials/archive/v${PV}.tar.gz ->
${PN}-tutorials-${PV}.tar.gz )"
- KEYWORDS="amd64 ~x86 ~amd64-linux"
+ KEYWORDS="amd64 x86 ~amd64-linux"
S="${WORKDIR}/${P#votca-}"
PDEPEND="extras? ( ~sci-chemistry/${PN}apps-${PV} )"
fi
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca-xtp/
commit: bd12ec48914fc73b18318814294bdde5c2253358
Author: Christoph Junghans gentoo org>
AuthorDate: Fri Mar 19 19:34:40 2021 +
Commit: Christoph Junghans gentoo org>
CommitDate: Fri Mar 19 19:45:52 2021 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=bd12ec48
sci-chemistry/votca-xtp: live ebuild updates
Package-Manager: Portage-3.0.13, Repoman-3.0.2
Signed-off-by: Christoph Junghans gentoo.org>
sci-chemistry/votca-xtp/votca-xtp-.ebuild | 13 +++--
1 file changed, 11 insertions(+), 2 deletions(-)
diff --git a/sci-chemistry/votca-xtp/votca-xtp-.ebuild
b/sci-chemistry/votca-xtp/votca-xtp-.ebuild
index d9f436b0316..e4c0b6c8a53 100644
--- a/sci-chemistry/votca-xtp/votca-xtp-.ebuild
+++ b/sci-chemistry/votca-xtp/votca-xtp-.ebuild
@@ -19,19 +19,28 @@ HOMEPAGE="https://www.votca.org/";
LICENSE="Apache-2.0"
SLOT="0"
-IUSE=""
+IUSE="test"
+RESTRICT="!test? ( test )"
RDEPEND="
>=dev-cpp/eigen-3.3
~sci-chemistry/votca-csg-${PV}
sci-libs/hdf5[cxx]
+ sci-libs/libecpint
sci-libs/libxc
~sci-libs/votca-tools-${PV}
"
DEPEND="${RDEPEND}"
BDEPEND="virtual/pkgconfig"
-DOCS=( README.md NOTICE CHANGELOG.md )
+DOCS=( README.rst NOTICE.rst CHANGELOG.rst )
+
+src_configure() {
+ local mycmakeargs=(
+ -DENABLE_TESTING=$(usex test)
+ )
+ cmake_src_configure
+}
pkg_postinst() {
einfo
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca-csg/
commit: 967bf3bc731717cee49b4b32d332cd25c7d707b5
Author: Christoph Junghans gentoo org>
AuthorDate: Fri Mar 19 19:40:05 2021 +
Commit: Christoph Junghans gentoo org>
CommitDate: Fri Mar 19 19:45:53 2021 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=967bf3bc
sci-chemistry/votca-csg: live ebuild updates
Package-Manager: Portage-3.0.13, Repoman-3.0.2
Signed-off-by: Christoph Junghans gentoo.org>
sci-chemistry/votca-csg/votca-csg-.ebuild | 4 +++-
1 file changed, 3 insertions(+), 1 deletion(-)
diff --git a/sci-chemistry/votca-csg/votca-csg-.ebuild
b/sci-chemistry/votca-csg/votca-csg-.ebuild
index 2fd3e86a408..ba2fbdfd7aa 100644
--- a/sci-chemistry/votca-csg/votca-csg-.ebuild
+++ b/sci-chemistry/votca-csg/votca-csg-.ebuild
@@ -20,7 +20,8 @@ HOMEPAGE="https://www.votca.org/";
LICENSE="Apache-2.0"
SLOT="0"
-IUSE="examples extras +gromacs hdf5"
+IUSE="examples extras +gromacs hdf5 test"
+RESTRICT="!test? ( test )"
RDEPEND="
app-shells/bash:*
@@ -56,6 +57,7 @@ src_configure() {
-DCMAKE_DISABLE_FIND_PACKAGE_GROMACS=$(usex !gromacs)
-DCMAKE_DISABLE_FIND_PACKAGE_HDF5=$(usex !hdf5)
-DBUILD_CSGAPPS=$(usex extras)
+ -DENABLE_TESTING=$(usex test)
)
cmake_src_configure
}
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca-csgapps/
commit: 39d28bb7e55457656e18abe9ed94540ffc5b4791
Author: Sam James gentoo org>
AuthorDate: Sat Mar 27 16:07:00 2021 +
Commit: Sam James gentoo org>
CommitDate: Sat Mar 27 16:07:00 2021 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=39d28bb7
sci-chemistry/votca-csgapps: Stabilize 1.6.4 amd64, #773175
Signed-off-by: Sam James gentoo.org>
sci-chemistry/votca-csgapps/votca-csgapps-1.6.4.ebuild | 2 +-
1 file changed, 1 insertion(+), 1 deletion(-)
diff --git a/sci-chemistry/votca-csgapps/votca-csgapps-1.6.4.ebuild
b/sci-chemistry/votca-csgapps/votca-csgapps-1.6.4.ebuild
index bc3c61b39c2..1599826e6ee 100644
--- a/sci-chemistry/votca-csgapps/votca-csgapps-1.6.4.ebuild
+++ b/sci-chemistry/votca-csgapps/votca-csgapps-1.6.4.ebuild
@@ -10,7 +10,7 @@ if [[ ${PV} == * ]]; then
EGIT_REPO_URI="https://github.com/${PN/-//}.git";
else
SRC_URI="https://github.com/${PN/-//}/archive/v${PV}.tar.gz ->
${P}.tar.gz"
- KEYWORDS="~amd64 ~x86 ~amd64-linux"
+ KEYWORDS="amd64 ~x86 ~amd64-linux"
S="${WORKDIR}/${P#votca-}"
fi
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca-xtp/
commit: b856586590304ebe665e1a4207eba63a01dd8303
Author: Sam James gentoo org>
AuthorDate: Sat Mar 27 16:07:01 2021 +
Commit: Sam James gentoo org>
CommitDate: Sat Mar 27 16:07:01 2021 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=b8565865
sci-chemistry/votca-xtp: Stabilize 1.6.4 amd64, #773175
Signed-off-by: Sam James gentoo.org>
sci-chemistry/votca-xtp/votca-xtp-1.6.4.ebuild | 2 +-
1 file changed, 1 insertion(+), 1 deletion(-)
diff --git a/sci-chemistry/votca-xtp/votca-xtp-1.6.4.ebuild
b/sci-chemistry/votca-xtp/votca-xtp-1.6.4.ebuild
index d9f436b0316..6278461fdd0 100644
--- a/sci-chemistry/votca-xtp/votca-xtp-1.6.4.ebuild
+++ b/sci-chemistry/votca-xtp/votca-xtp-1.6.4.ebuild
@@ -10,7 +10,7 @@ if [[ ${PV} == * ]]; then
EGIT_REPO_URI="https://github.com/${PN/-//}.git";
else
SRC_URI="https://github.com/${PN/-//}/archive/v${PV}.tar.gz ->
${P}.tar.gz"
- KEYWORDS="~amd64 ~x86 ~amd64-linux"
+ KEYWORDS="amd64 ~x86 ~amd64-linux"
S="${WORKDIR}/${P#votca-}"
fi
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca-csg/
commit: 9edc2d18ea59691eae1610c58849d170af40623c
Author: Sam James gentoo org>
AuthorDate: Sat Mar 27 16:06:59 2021 +
Commit: Sam James gentoo org>
CommitDate: Sat Mar 27 16:06:59 2021 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=9edc2d18
sci-chemistry/votca-csg: Stabilize 1.6.4 amd64, #773175
Signed-off-by: Sam James gentoo.org>
sci-chemistry/votca-csg/votca-csg-1.6.4.ebuild | 2 +-
1 file changed, 1 insertion(+), 1 deletion(-)
diff --git a/sci-chemistry/votca-csg/votca-csg-1.6.4.ebuild
b/sci-chemistry/votca-csg/votca-csg-1.6.4.ebuild
index 4a22a2fb766..54f02a8b2fa 100644
--- a/sci-chemistry/votca-csg/votca-csg-1.6.4.ebuild
+++ b/sci-chemistry/votca-csg/votca-csg-1.6.4.ebuild
@@ -13,7 +13,7 @@ else
SRC_URI="https://github.com/${PN/-//}/archive/v${PV}.tar.gz ->
${P}.tar.gz
doc? (
https://github.com/${PN/-//}-manual/releases/download/v${PV}/${PN}-manual-${PV}.pdf
)
examples? (
https://github.com/${PN/-//}-tutorials/archive/v${PV}.tar.gz ->
${PN}-tutorials-${PV}.tar.gz )"
- KEYWORDS="~amd64 ~x86 ~amd64-linux"
+ KEYWORDS="amd64 ~x86 ~amd64-linux"
S="${WORKDIR}/${P#votca-}"
PDEPEND="extras? ( ~sci-chemistry/${PN}apps-${PV} )"
fi
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca-xtp/
commit: fa5748e3323ecc56fec9745321bfdd402b5d6417
Author: Christoph Junghans gentoo org>
AuthorDate: Sat Apr 18 05:01:12 2020 +
Commit: Christoph Junghans gentoo org>
CommitDate: Sat Apr 18 05:01:12 2020 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=fa5748e3
sci-chemistry/votca-xtp: version bump
Package-Manager: Portage-2.3.89, Repoman-2.3.20
Signed-off-by: Christoph Junghans gentoo.org>
sci-chemistry/votca-xtp/Manifest | 1 +
sci-chemistry/votca-xtp/votca-xtp-1.6.ebuild | 45
2 files changed, 46 insertions(+)
diff --git a/sci-chemistry/votca-xtp/Manifest b/sci-chemistry/votca-xtp/Manifest
index e8f2892c4ea..7a737a6f82f 100644
--- a/sci-chemistry/votca-xtp/Manifest
+++ b/sci-chemistry/votca-xtp/Manifest
@@ -2,6 +2,7 @@ DIST votca-xtp-1.4.1.tar.gz 15214413 BLAKE2B
0f6e67179e2ee1fa8ab79ca0c2d810f9867
DIST votca-xtp-1.4.tar.gz 15214266 BLAKE2B
435ba1603495d904ccce20b4fa665d3a1c62fc04005ea89cf83b431240fb78f8a44f09ad619af331802e43ca3d05b20a4c60c75360940d4f786c0030fd7a
SHA512
ffc32260331862393e199f7ab643b1008ee4f800cd017f175550a079afaa20e5c929cb8599bc0c2a2328253051895de7b979f5fec044243abc680a0dc87a69b9
DIST votca-xtp-1.5.1.tar.gz 14634849 BLAKE2B
84ee9fc531a530ba276a6fd3eccc78dd25c27346db76871f33fe307dde451956bf091b636dd5594bf3b8b24a727fe7e5a730fb85cd2cbb0e5605705996e69bd2
SHA512
8fb6891e84d4d685e26287344554b705c607e7cb9f497c00ac9cd8328e50210c56706abdb7004b83d4addbfbc7b35c3526b4feabf75f681362b3b7a39c54b668
DIST votca-xtp-1.5.tar.gz 14637712 BLAKE2B
af04de706f0d100968928459a03b6a94a94a211b3f5bd056d123756d40760fb0ada70add429ed5b86e211dbdd3b91aa4cf12e51a260638766d04158e7b5a1201
SHA512
693f34004749edfbabcd0a19dc23b3de3c09858c7c0dfe1e420b92632397971e3687489c1074a489d4d2fd337ddc5749c419869db104c65736e7c01bf12cd140
+DIST votca-xtp-1.6.tar.gz 1404955 BLAKE2B
1599281ea1cd6b5a93b1d91f69a793af7bb9cd2fbf70157e5d40a5bfc72f973f3d97338f92157c2c482ad041f8afda298282b1f83dda66d0bb189bdc07bb5a23
SHA512
cb99c31fe7f1af53b8ccf50cc9cc304ed5c5b5d1a165e1a72a456c0bbf5ac8bb9263c9eff829acc74be348192afbf80fd4d80a2c20d1dd5d7f909b1b50368670
DIST votca-xtp-1.6_rc1.tar.gz 13586771 BLAKE2B
d5b72a7389b77df0570eac0021870bba3fa66a89b3a2df1e08632b1c1827884d101ef8d972762dae35e44e53e7a9fe9278d3204eec09c35d091ab3427b055be4
SHA512
0b54eddcf944967b1d41f75f4887eba9edc3be18b94d319e93e795a24f58a2877d7f60afd806290eacb41d329d1b1206ebaab83874d6be2d5b026f06dbc19dfd
DIST votca-xtp-manual-1.4.1.pdf 1066873 BLAKE2B
8cbd4b55b013794a19a8b5867b929b8e2d9084e6780d777b2a2bbaea23006f4f4ec5b26bd4a07c59e1c6726f23471eb1756b668636e0c4e656a0807e64197586
SHA512
fdf1147f24785524f5e96020fcd29c32bbeef520eebf6afba32b59d7e777d586c452919478d2734c3f021e558b1147b945cdbc0833402be2b16e5af3a8e37f5f
DIST votca-xtp-manual-1.4.pdf 1064006 BLAKE2B
e4f0c20c6d40a5f58b863258cc122e5a7cf376b7138927c0a6bdd400841c330fc013287513258f6f68609e39f0bf39b965fd099171594c5e2730fba82a2488d4
SHA512
96d7f59dbcc3a6efdc297237025217d5a56d2c81e491d90680786ea4769a5ebbea379df3b06c4847307ee30accd7415e316dee4730361262f5aff73d2f5d387e
diff --git a/sci-chemistry/votca-xtp/votca-xtp-1.6.ebuild
b/sci-chemistry/votca-xtp/votca-xtp-1.6.ebuild
new file mode 100644
index 000..9e3b8ca0fa6
--- /dev/null
+++ b/sci-chemistry/votca-xtp/votca-xtp-1.6.ebuild
@@ -0,0 +1,45 @@
+# Copyright 1999-2020 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=7
+
+CMAKE_MAKEFILE_GENERATOR="ninja"
+
+inherit bash-completion-r1 cmake-utils multilib
+
+IUSE=""
+if [ "${PV}" != "" ]; then
+ SRC_URI="https://github.com/${PN/-//}/archive/v${PV}.tar.gz ->
${P}.tar.gz"
+ KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-macos"
+ S="${WORKDIR}/${P#votca-}"
+else
+ inherit git-r3
+ EGIT_REPO_URI="https://github.com/${PN/-//}.git";
+ KEYWORDS=""
+fi
+
+DESCRIPTION="Votca excitation and charge properties module"
+HOMEPAGE="http://www.votca.org";
+
+LICENSE="Apache-2.0"
+SLOT="0"
+
+RDEPEND="
+ ~sci-libs/votca-tools-${PV}
+ >=dev-cpp/eigen-3.3
+ sci-libs/hdf5[cxx]
+ ~sci-chemistry/votca-csg-${PV}
+ sci-libs/libxc"
+
+DEPEND="${RDEPEND}
+ virtual/pkgconfig"
+
+DOCS=( README.md NOTICE CHANGELOG.md )
+
+pkg_postinst() {
+ einfo
+ einfo "Please read and cite:"
+ einfo "VOTCA-XTP, J. Chem. Theo. Comp. 14, 6353 (2018)"
+ einfo "https://doi.org/10.1021/acs.jctc.8b00617";
+ einfo
+}
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca-csg/
commit: 46a503722ae951c5ef45649cf9c57fce63fd61a6 Author: Christoph Junghans gentoo org> AuthorDate: Sat Apr 18 04:39:25 2020 + Commit: Christoph Junghans gentoo org> CommitDate: Sat Apr 18 04:39:25 2020 + URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=46a50372 sci-chemistry/votca-csg: version bump Package-Manager: Portage-2.3.89, Repoman-2.3.20 Signed-off-by: Christoph Junghans gentoo.org> sci-chemistry/votca-csg/Manifest | 3 + sci-chemistry/votca-csg/votca-csg-1.6.ebuild | 92 2 files changed, 95 insertions(+) diff --git a/sci-chemistry/votca-csg/Manifest b/sci-chemistry/votca-csg/Manifest index 1a8fa87be35..f0803b227f2 100644 --- a/sci-chemistry/votca-csg/Manifest +++ b/sci-chemistry/votca-csg/Manifest @@ -2,14 +2,17 @@ DIST votca-csg-1.4.1.tar.gz 347702 BLAKE2B 8c98804bafd75148fa72a9e119d4448ab9b04 DIST votca-csg-1.4.tar.gz 346527 BLAKE2B 8f0a41f9aa9fd865e2e544d5fd587d93d631edc2dabab8edfc3461582da2e0401a266a42be1c0f1e6647502cdcccee55b5bba891aa156394012b8b5e1b06f7e8 SHA512 26318644c7af2dfa1b81242b27ffac98f2180c3a1f05581bc50a00f644cec4b19ffbaf41c9d941a4714171b56ae93fe41f1a663cd0593ae2b0be2da379119d9b DIST votca-csg-1.5.1.tar.gz 708319 BLAKE2B 2ea75cf08dc3005bd08ebe85113d95743fe85bae4b7ac3c2e2d9b64be64a7103ecf30b9edf45cffa86b7588d5c57a0256aef02f4590fa6031cb63881480bd0fd SHA512 3559452182c325d5df72918ec6e12122c8214df9733d779c123ff199597fe47fc493fd75adf1f5dbc6b55016373863378ba3cc69fb6b61bc1531c6e591d8131c DIST votca-csg-1.5.tar.gz 429164 BLAKE2B da04bd9ce8e879e9a961006256e03d160fa49fe77aa2f1eff0986b338296b04137bb087ecfabb7f2fc855b0ccd83dc4fd65c43303bf5f2eef0519d27b0ec SHA512 c5a77ded3c9b2582494bea55b464689d566d4155713af823dccc6999f98438444d51fae3948144f82c2aaf3914eee740fe21e8828af689d37ab0b5ffea0605fa +DIST votca-csg-1.6.tar.gz 464175 BLAKE2B 1871c7edc4b4e848a06049a7c687e906f166312777bdbf5c65be8efe8d5032582fdca9dc7eca453b7013901f409326b0583c79731c68fa2b4e6366f021958b0b SHA512 76cda93023d46a66ae31edcec0ece709ddc70a9be9d098721b945006c197ed3b6cbd1e643158797be518c4fe66f7b23d3e8d8735cbd9e155db3db0d79929cfbe DIST votca-csg-1.6_rc1.tar.gz 479265 BLAKE2B c4ba3c81eefd375eea6f8c0b1cd60f9cc80898fb7e8e811ecc286f06d94bd4316edfca277649ec3f7f8b751b2f2928ca2dfe61cc3b1c3060a324ea783c62003f SHA512 6622648ddc3308ca2f8e98d6dbcd28e33a4e0fb44d96ef94ebcaa2e87e5ba3ca2ab83dcc1de4fd0803dbc20ba7192f5fdd2c935b364ed4e2122b5948c10d4936 DIST votca-csg-manual-1.4.1.pdf 1282641 BLAKE2B 370b7c8997649555fd2360b999cf381c340a74c3747afda23d0e9d346367cc6d14d4e9a0e9ac82184945427d30050dd623dd1b6d8218c6ff3d2f17331987aaae SHA512 e89f41af05eaeb9ea499e8625cc98e2632ec647ec2d8c9c9052dcd4d2935d082b29b51495514e3e06e73ce42b8cda7017fc523a013569378e2bc86bf88ad32d4 DIST votca-csg-manual-1.4.pdf 1281983 BLAKE2B 5659c2e327ba7bb00fac15adfb578288d546b509366863f593776a62dd3064662535d4fd525f1063f5ccaf47446822f13fefd7f66aa9d68cd1a4a7c99d66a790 SHA512 2e1f4a4375d83df9bd357d4d17e79d26a3a31c9177f008de86721427ffc6f43a5000ec840691108b52a8aecf962321ba6363cd975c7445d7230ee5b0b151b3fa DIST votca-csg-manual-1.5.1.pdf 1263719 BLAKE2B 29e2ce27215787a1121e45ec1e88ce7c61ba81709a2519aa0959eede505498b9aaf4f38666bb1a4f97837c98b862e7ed02405da07294a7ec76cc80390fe72e0d SHA512 7d9fb4c635383e1b9c9547691f8729e19f273fcafc4dab2a6b438b3ce98ea05bd31887d09bc4edc86ceb0b04d71a4371aed7aadc3ba6864f7be2ef3328ede642 DIST votca-csg-manual-1.5.pdf 1273566 BLAKE2B edfa2adb942d968cf79499e89342b7aaab64edfbfb6e02f76a66201df0920a58acc17bf4e2e4846d104519df163223c27f283cc5798ec7b64d9317a7728ff8c4 SHA512 da298ab0c27000ccf7fb5793c4252c4e17a969709db2649a5acb56af6208b954312c46a2ea8399cdb879b699e72a0ded0b2fe1bcd26431c6625f36b09c0267a5 +DIST votca-csg-manual-1.6.pdf 1248178 BLAKE2B 5213d55787041db81fe8563febbf130db6aed9233e569039b66d69cfb173131353d45bef824640ee7b0a3fed7821ede4d5a6ce6ffc14d1548499317afdc0248a SHA512 e91d4b8397b67808c9671b9adbaad41fd9a0ede90066e220839d86f21a9bbcd4e433534faf1dfbca106d55af5a6cce0425a5bdfa3eb30ebe14469594da0129ca DIST votca-csg-manual-1.6_rc1.pdf 1248403 BLAKE2B b702eff4a36d27d592147f115f4e9080cbf580b6401141a14865395f0cb927c35f60035f92724e71e5edadbbe3e317f93989eb6f2e0a0e7b9f685e56851546d2 SHA512 2514bd2fee4bae787a3f8c07d1f1d90061a2b503255efe0730ed164bb002c7e7ad7309ccd3b5b931994f70b7ed99afde28955d9ea1b34c86df21bfcb8bfb39bb DIST votca-csg-tutorials-1.4.1.tar.gz 6339417 BLAKE2B e9acf8e421f6fce4d97be2d51fb559979c6fd3e6b042525cedf32cadeab1dddc5b1aaf80bbbfd387da3bce71672759c2e84d317c789f616dc71834c72a581fff SHA512 896ec9d6b2537a06301046a74c1957708eb96d9854b3ec855fe3457208c142f6fb26a03e323a2644862a1efd0030fcceb1189f73655b984462f0f7127a02de90 DIST votca-csg-tutorials-1.4.tar.gz 6348417 BLAKE2B 612fcbc4457a57be74e5306bf86d6e031ea8cd55ebe3f4d246c0876e272e6e6dd535c8dd2f24f7593cb1ef31fbc18111269d29cb69120368ddef7b1b7d25825c SHA512 f3eb28a133ebc04eed07f84d5962943cb9c547c1099638127f15e0015dfdf3f0b25aab4c97d009d6040bf1d69d408cc178edd6e803d33bf1d831e12dca067
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca-csgapps/
commit: f861b5c504b1598dbb541adeb3a63aac9de6ecb5
Author: Christoph Junghans gentoo org>
AuthorDate: Sat Apr 18 04:40:10 2020 +
Commit: Christoph Junghans gentoo org>
CommitDate: Sat Apr 18 04:40:10 2020 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=f861b5c5
sci-chemistry/votca-csgapps: version bump
Package-Manager: Portage-2.3.89, Repoman-2.3.20
Signed-off-by: Christoph Junghans gentoo.org>
sci-chemistry/votca-csgapps/Manifest | 1 +
.../votca-csgapps/votca-csgapps-1.6.ebuild | 33 ++
2 files changed, 34 insertions(+)
diff --git a/sci-chemistry/votca-csgapps/Manifest
b/sci-chemistry/votca-csgapps/Manifest
index 8a5af18b1c3..a10238a4b5e 100644
--- a/sci-chemistry/votca-csgapps/Manifest
+++ b/sci-chemistry/votca-csgapps/Manifest
@@ -2,4 +2,5 @@ DIST votca-csgapps-1.4.1.tar.gz 21066 BLAKE2B
8e1d25957b7c62d2182872de4d0c50c90f
DIST votca-csgapps-1.4.tar.gz 21072 BLAKE2B
30c2f6692544741bfbec09efea2f68ae48cd4716e61e40d3da12a17ad941f2947cc6a8477229b80e420e217a95adff4152a07215e2e913e71736b61ba1ac226a
SHA512
325c99606f17d7bb00e2cc3b1545f31dd4cf1fbc0d216f2da2c48e06b2011c9f99096643a6c6efd794a169de056f803f791c156afec4a73e41c58bc4ca1055f9
DIST votca-csgapps-1.5.1.tar.gz 26006 BLAKE2B
8651978c15087fc7332fe229cfc33d8c4257faf46d72f7ac5fbaaf5f31133c4df3d97cae2b18730b5700e742c27e3db39696fdfe910ed884952ba0f832220c3d
SHA512
4f83a46f16eb0a4cb9acc6c0d9523fa746dcf670107355c95fc02daa6ca91fb4f8d5e48bc920d8c13a9445390a25415f7217979903ea86f890df1d4704944c28
DIST votca-csgapps-1.5.tar.gz 25975 BLAKE2B
185e759d658c6f763da2d26770766ec8ee05017b4c6a67e13915de04fbf2ecf268f2f800c5e18ef0f38c615340b0db163e886dc98a9395a69359f94dc8773f60
SHA512
20dda9d07ef2f33c9decff2766ece8f24cf2562993b4dfb7dd637d84325b835a6ecd30d34c5cfb9c428dbf72c2b5dfe9fd49d266182704b981db151c3c4ea2e4
+DIST votca-csgapps-1.6.tar.gz 20130 BLAKE2B
0c34fba42a70f756043aae89f51b94cc0a9c9a85680ed78c56b4c05f834d94c74aff59e4adf6155e5fab81d057da58ec420d843532af57beeaa6e81f82432d92
SHA512
5a85abaf6b09a225604f33f2e0cfb774525159e9bce89efd7ebfc0c9c37342e472503ff51c3065be2a4b87e95671f55164c630477f404f94b0510a83e262352f
DIST votca-csgapps-1.6_rc1.tar.gz 20138 BLAKE2B
9374911f761fd78f01721e8e10f3b9c14f2ba894735735e4d09f5e29eb1d1b69f4fa081699d7a93abfad2ebe55d6439edbb6db547618e6d2cfbaf7bbc8a79ca8
SHA512
153bd6e537175c9908739c60ce80830ebf57c0686f11b21fc541995cb5355d4a3f7f7ee7d1707bb85f5fc859bf260a3a167450175ffe8feb92044e8018be996b
diff --git a/sci-chemistry/votca-csgapps/votca-csgapps-1.6.ebuild
b/sci-chemistry/votca-csgapps/votca-csgapps-1.6.ebuild
new file mode 100644
index 000..463cba8e0e3
--- /dev/null
+++ b/sci-chemistry/votca-csgapps/votca-csgapps-1.6.ebuild
@@ -0,0 +1,33 @@
+# Copyright 1999-2020 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=7
+
+CMAKE_MAKEFILE_GENERATOR="ninja"
+
+inherit cmake-utils
+
+if [ "${PV}" != "" ]; then
+ SRC_URI="https://github.com/${PN/-//}/archive/v${PV}.tar.gz ->
${P}.tar.gz"
+ KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-macos"
+ S="${WORKDIR}/${P#votca-}"
+else
+ inherit git-r3
+ EGIT_REPO_URI="https://github.com/${PN/-//}.git";
+ KEYWORDS=""
+fi
+
+DESCRIPTION="Extra applications for votca-csg"
+HOMEPAGE="http://www.votca.org";
+
+LICENSE="Apache-2.0"
+SLOT="0"
+IUSE=""
+
+RDEPEND="
+ >=dev-cpp/eigen-3.3
+ ~sci-chemistry/${PN%apps}-${PV}"
+
+DEPEND="${RDEPEND}"
+
+DOCS=( README.md )
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca-xtp/
commit: f31d0c11fc0208065c9887978ecbc3e2ed06914b
Author: Christoph Junghans gentoo org>
AuthorDate: Thu Apr 2 22:04:48 2020 +
Commit: Christoph Junghans gentoo org>
CommitDate: Thu Apr 2 22:05:19 2020 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=f31d0c11
sci-chemistry/votca-xtp: fix deps
Closes: https://bugs.gentoo.org/715956
Package-Manager: Portage-2.3.89, Repoman-2.3.20
Signed-off-by: Christoph Junghans gentoo.org>
sci-chemistry/votca-xtp/votca-xtp-1.6_rc1.ebuild | 1 +
sci-chemistry/votca-xtp/votca-xtp-.ebuild| 1 +
2 files changed, 2 insertions(+)
diff --git a/sci-chemistry/votca-xtp/votca-xtp-1.6_rc1.ebuild
b/sci-chemistry/votca-xtp/votca-xtp-1.6_rc1.ebuild
index 4de1f7f7474..9e3b8ca0fa6 100644
--- a/sci-chemistry/votca-xtp/votca-xtp-1.6_rc1.ebuild
+++ b/sci-chemistry/votca-xtp/votca-xtp-1.6_rc1.ebuild
@@ -27,6 +27,7 @@ SLOT="0"
RDEPEND="
~sci-libs/votca-tools-${PV}
>=dev-cpp/eigen-3.3
+ sci-libs/hdf5[cxx]
~sci-chemistry/votca-csg-${PV}
sci-libs/libxc"
diff --git a/sci-chemistry/votca-xtp/votca-xtp-.ebuild
b/sci-chemistry/votca-xtp/votca-xtp-.ebuild
index 4de1f7f7474..9e3b8ca0fa6 100644
--- a/sci-chemistry/votca-xtp/votca-xtp-.ebuild
+++ b/sci-chemistry/votca-xtp/votca-xtp-.ebuild
@@ -27,6 +27,7 @@ SLOT="0"
RDEPEND="
~sci-libs/votca-tools-${PV}
>=dev-cpp/eigen-3.3
+ sci-libs/hdf5[cxx]
~sci-chemistry/votca-csg-${PV}
sci-libs/libxc"
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca-csg/
commit: 87f4bb32006375c6b327a86e9a544127729e8770
Author: Christoph Junghans gentoo org>
AuthorDate: Sun Jul 18 23:23:07 2021 +
Commit: Christoph Junghans gentoo org>
CommitDate: Sun Jul 18 23:24:20 2021 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=87f4bb32
sci-chemistry/votca-csg: version bump
Package-Manager: Portage-3.0.20, Repoman-3.0.2
Signed-off-by: Christoph Junghans gentoo.org>
sci-chemistry/votca-csg/Manifest| 2 +
sci-chemistry/votca-csg/votca-csg-2021.1.ebuild | 87 +
2 files changed, 89 insertions(+)
diff --git a/sci-chemistry/votca-csg/Manifest b/sci-chemistry/votca-csg/Manifest
index c57ba965ec8..1f9bfdbfa13 100644
--- a/sci-chemistry/votca-csg/Manifest
+++ b/sci-chemistry/votca-csg/Manifest
@@ -1,8 +1,10 @@
DIST votca-csg-1.5.1.tar.gz 708319 BLAKE2B
2ea75cf08dc3005bd08ebe85113d95743fe85bae4b7ac3c2e2d9b64be64a7103ecf30b9edf45cffa86b7588d5c57a0256aef02f4590fa6031cb63881480bd0fd
SHA512
3559452182c325d5df72918ec6e12122c8214df9733d779c123ff199597fe47fc493fd75adf1f5dbc6b55016373863378ba3cc69fb6b61bc1531c6e591d8131c
DIST votca-csg-1.6.4.tar.gz 537966 BLAKE2B
c9ccc3aa28bdc4a2a2c080104b70602d8cf4be19a71e7d0b4a1c03d11f54b645984103d1662823a9308a4e4c4baedef731de06ff314b168f89e7326c0d3c8ee9
SHA512
4cdbf6c0a593720675f48f574ff9a93d038a48037543c1e09a4559d3eb262a2d8bf83d5f5dab85b4820a541e0c57f7cca78315d5b3382763e8acd8cc0fcb65ac
+DIST votca-csg-2021.1.tar.gz 4300862 BLAKE2B
4ef287a8b0e14e97bcbc293bebdc3a0c45a08bd0033044ef8aa1ac18bac04928010ab3f5edfb656f1d062926f4572a1f3b0e55b3b3b635fdc388e5b850ec3bba
SHA512
e1abdd34a3d88aea253cc10e7832a18d2cffc44286e4591c5a1239bf34e68d6c40054d3eb907a902e5ab6af5a9dea4ec266ff5ce59073b500413f4e122885e94
DIST votca-csg-2021.tar.gz 4300573 BLAKE2B
ba589c97f22888b8a1a12c71314133c08c89e44c201bafa6e5f1d74dfe90c87dd84a5d1c2883b26402858b6aa990d37add57bdfb9db6836a7c287f0685a40a59
SHA512
8eacf4045ddc13d33e853cd35a67d03dfb63da60c3e879ea4f16e63f27a92aa13cbf4e367d9258778c9c09462443e4bb2b937c247c6246377ceeecf56bc6fc12
DIST votca-csg-manual-1.5.1.pdf 1263719 BLAKE2B
29e2ce27215787a1121e45ec1e88ce7c61ba81709a2519aa0959eede505498b9aaf4f38666bb1a4f97837c98b862e7ed02405da07294a7ec76cc80390fe72e0d
SHA512
7d9fb4c635383e1b9c9547691f8729e19f273fcafc4dab2a6b438b3ce98ea05bd31887d09bc4edc86ceb0b04d71a4371aed7aadc3ba6864f7be2ef3328ede642
DIST votca-csg-manual-1.6.4.pdf 1242124 BLAKE2B
003a255d2869c8185f9e03038f646a80b682be3daceb18757c791f5d52101379402aee20c5dcb65ef8ce651bd6f6590ad5249e835e53ce92e04eb33214017a9e
SHA512
36956acd24a21cb0a1dd26d6640b41b7473132948327c05856191b4f9531b4d1d5f98be68a9d1a847935d47633d483e87c2300634233a6e617a010c1fb563690
DIST votca-csg-tutorials-1.5.1.tar.gz 5949467 BLAKE2B
c6de6084fbb1d2c4ac2ce75d01a1153eabc63386063de800ff2dc6b483b0568191e7f06ddcb8be46123224ccfd3a97f5fb4e7cd603c0ee99a8636d7143f6c701
SHA512
f2e709ae31d914fe12a4ce37b5019deb878b15ade14972f2a8204bec8970ba2c8946b71b94a5bfd6f7569e41173bfbc75275ea09cbee4358ad1de0e84751049c
DIST votca-csg-tutorials-1.6.4.tar.gz 5944389 BLAKE2B
66f1d4947bb28ec602250226ad2c08cc02278a90776acbcadca2df3078361435fb2353ee0fa299d0d19697d36682f20aab709d45539d5ac7e7070942601ebc3f
SHA512
7e40037f2e70c861fd7f5c63806c17ad56672a340a8795fa745414940c55f593bef32b9f6b9050400131ed9e66aa927149e9d324a1c264364d8504baf1921e28
+DIST votca-csg-tutorials-2021.1.tar.gz 5941978 BLAKE2B
5e6c5cfc3860e287d93cf8d59862a75e3afe7ac1610e696427e99302a99c86d12ce12f7a23281f36c8859e48a25be138466b9316f4c0667d5bf784f33c27e6df
SHA512
8370ac9e2e859153f9a54b2e02cd18692fd06810dafb50a6bf3d81eca5211847e1b75d9832df80b1436ae0f9dcab455aa0bfb4c8122165c584cabd14203408ba
DIST votca-csg-tutorials-2021.tar.gz 5942031 BLAKE2B
60ef492c98bf07b5169c6f1be2298b6dac76003ef9981064463de9fdae649c215d469424e253d06b63637bb3eee9383c587a98322ab987995f8b4861bb0002e1
SHA512
844706407cb91d507c6b0433e23f4b27756dd4c882f6cef79d51f2b2acae6cd0114ccd91d626d090d0f61c58a57cc3c1eda0a0d10d6f4bfa522eda7ee8de21b3
diff --git a/sci-chemistry/votca-csg/votca-csg-2021.1.ebuild
b/sci-chemistry/votca-csg/votca-csg-2021.1.ebuild
new file mode 100644
index 000..eb83c3f2c7a
--- /dev/null
+++ b/sci-chemistry/votca-csg/votca-csg-2021.1.ebuild
@@ -0,0 +1,87 @@
+# Copyright 1999-2021 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=7
+
+inherit bash-completion-r1 cmake
+
+if [[ ${PV} == * ]]; then
+ inherit git-r3
+ EGIT_REPO_URI="https://github.com/${PN/-//}.git";
+else
+ SRC_URI="https://github.com/${PN/-//}/archive/v${PV}.tar.gz ->
${P}.tar.gz
+ examples? (
https://github.com/${PN/-//}-tutorials/archive/v${PV}.tar.gz ->
${PN}-tutorials-${PV}.tar.gz )"
+ KEYWORDS="~amd64 ~x86 ~amd64-linux"
+ S="${WORKDIR}/${P#votca-}"
+fi
+
+DESCRIPTION="Votca coarse-graining engine"
+HOMEPAGE="https://www.votca.org/";
+
+LICENSE="Apache-2.0"
+SLOT="0"
+IUSE="examples extras +gromacs hdf5 test"
+RESTRICT="!test? ( t
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca-xtp/
commit: 38b1dd6acd75f5b5115f74e5c224f54ddbed131c
Author: Christoph Junghans gentoo org>
AuthorDate: Sun Jul 18 23:23:40 2021 +
Commit: Christoph Junghans gentoo org>
CommitDate: Sun Jul 18 23:24:21 2021 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=38b1dd6a
sci-chemistry/votca-xtp: version bump
Package-Manager: Portage-3.0.20, Repoman-3.0.2
Signed-off-by: Christoph Junghans gentoo.org>
sci-chemistry/votca-xtp/Manifest| 1 +
.../votca-xtp/{votca-xtp-.ebuild => votca-xtp-2021.1.ebuild}| 2 +-
sci-chemistry/votca-xtp/votca-xtp-.ebuild | 1 +
3 files changed, 3 insertions(+), 1 deletion(-)
diff --git a/sci-chemistry/votca-xtp/Manifest b/sci-chemistry/votca-xtp/Manifest
index 9c68f44fdff..0d13f9eb984 100644
--- a/sci-chemistry/votca-xtp/Manifest
+++ b/sci-chemistry/votca-xtp/Manifest
@@ -1,2 +1,3 @@
DIST votca-xtp-1.6.4.tar.gz 1405299 BLAKE2B
9d4e9d3f87e0c6be886df77bf52f9d8c0b4010fb1d77621a51b739986f3f5d70c85637c0d7b4d6a8a06d7dfc7e70ff5491bdc833a1b9da6fe1e8a9742a82d220
SHA512
f35e9605f4ac92547c801b254de792b5c3bf40200e8636869467997412357251df08f88ad851bc76cb0ba15428f06f28dbd4f64043a7612273468c8d653e52af
+DIST votca-xtp-2021.1.tar.gz 2192322 BLAKE2B
8b15f17e1287249ff383fc2b66b5d37c7f78bac071ea6cc2f902811ab56cded26db764cd204371d5bebca55dfce73d840d680a4c62bc458a6cf55955d783a666
SHA512
ad0190f3e9235aec9c6db4ea16de7cd0daad96ff9836821672b46dcf098ed3bc1cdbb98ccf4b495dab172d1c1a971580eef8dbf341a2067964f684871ca6277f
DIST votca-xtp-2021.tar.gz 2192166 BLAKE2B
bcacdfe92b8c9fbbe2fe949d7096c09928ef7ece3cc4e40adbf58f2894036588762f9905bce1a1595bea99d1dfb8bcd99f395bed2ce7b94eeaf51b1c33719558
SHA512
1444fd0a64a684fd2b1327a9c3af067ea812190fa95cab5f3bfcc7aae932cc7469d07fc219871ca594496fbfe74e277d3b6ccfbd7d5c24c162623515ee2fef0b
diff --git a/sci-chemistry/votca-xtp/votca-xtp-.ebuild
b/sci-chemistry/votca-xtp/votca-xtp-2021.1.ebuild
similarity index 98%
copy from sci-chemistry/votca-xtp/votca-xtp-.ebuild
copy to sci-chemistry/votca-xtp/votca-xtp-2021.1.ebuild
index e4c0b6c8a53..4d4db8635e4 100644
--- a/sci-chemistry/votca-xtp/votca-xtp-.ebuild
+++ b/sci-chemistry/votca-xtp/votca-xtp-2021.1.ebuild
@@ -26,8 +26,8 @@ RDEPEND="
>=dev-cpp/eigen-3.3
~sci-chemistry/votca-csg-${PV}
sci-libs/hdf5[cxx]
- sci-libs/libecpint
sci-libs/libxc
+ sci-libs/libint:2
~sci-libs/votca-tools-${PV}
"
DEPEND="${RDEPEND}"
diff --git a/sci-chemistry/votca-xtp/votca-xtp-.ebuild
b/sci-chemistry/votca-xtp/votca-xtp-.ebuild
index e4c0b6c8a53..ff2782e4b99 100644
--- a/sci-chemistry/votca-xtp/votca-xtp-.ebuild
+++ b/sci-chemistry/votca-xtp/votca-xtp-.ebuild
@@ -28,6 +28,7 @@ RDEPEND="
sci-libs/hdf5[cxx]
sci-libs/libecpint
sci-libs/libxc
+ sci-libs/libint:2
~sci-libs/votca-tools-${PV}
"
DEPEND="${RDEPEND}"
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca-ctp/
commit: 2999f67a5b172d770142c6b659c4dbfe60c2f984
Author: Sam James gentoo org>
AuthorDate: Wed Jun 2 21:26:59 2021 +
Commit: Sam James gentoo org>
CommitDate: Wed Jun 2 21:50:28 2021 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=2999f67a
sci-chemistry/votca-ctp: subscribe to sci-libs/gsl subslot
Signed-off-by: Sam James gentoo.org>
.../votca-ctp/{votca-ctp-1.5.1.ebuild => votca-ctp-1.5.1-r1.ebuild} | 2 +-
1 file changed, 1 insertion(+), 1 deletion(-)
diff --git a/sci-chemistry/votca-ctp/votca-ctp-1.5.1.ebuild
b/sci-chemistry/votca-ctp/votca-ctp-1.5.1-r1.ebuild
similarity index 98%
rename from sci-chemistry/votca-ctp/votca-ctp-1.5.1.ebuild
rename to sci-chemistry/votca-ctp/votca-ctp-1.5.1-r1.ebuild
index 779c83919b3..ace4787f199 100644
--- a/sci-chemistry/votca-ctp/votca-ctp-1.5.1.ebuild
+++ b/sci-chemistry/votca-ctp/votca-ctp-1.5.1-r1.ebuild
@@ -27,7 +27,7 @@ SLOT="0"
RDEPEND="
~sci-libs/votca-tools-${PV}[sqlite]
>=dev-cpp/eigen-3.3
- sci-libs/gsl
+ sci-libs/gsl:=
~sci-chemistry/votca-csg-${PV}"
DEPEND="${RDEPEND}
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca-csg/
commit: e25a6ed7fcd124c68b92d71d409dc9d85d1f7165
Author: Christoph Junghans gentoo org>
AuthorDate: Wed Jan 13 00:46:42 2021 +
Commit: Christoph Junghans gentoo org>
CommitDate: Wed Jan 13 01:20:24 2021 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=e25a6ed7
sci-chemistry/votca-csg: live ebuild updates
Package-Manager: Portage-3.0.9, Repoman-3.0.2
Signed-off-by: Christoph Junghans gentoo.org>
sci-chemistry/votca-csg/votca-csg-.ebuild | 7 +--
1 file changed, 1 insertion(+), 6 deletions(-)
diff --git a/sci-chemistry/votca-csg/votca-csg-.ebuild
b/sci-chemistry/votca-csg/votca-csg-.ebuild
index 0f23782e0f1..562ae3f8fdf 100644
--- a/sci-chemistry/votca-csg/votca-csg-.ebuild
+++ b/sci-chemistry/votca-csg/votca-csg-.ebuild
@@ -8,10 +8,8 @@ CMAKE_MAKEFILE_GENERATOR="ninja"
inherit bash-completion-r1 cmake multilib
IUSE="doc examples extras +gromacs hdf5"
-PDEPEND="extras? ( ~sci-chemistry/${PN}apps-${PV} )"
if [ "${PV}" != "" ]; then
SRC_URI="https://github.com/${PN/-//}/archive/v${PV}.tar.gz ->
${P}.tar.gz
- doc? (
https://github.com/${PN/-//}-manual/releases/download/v${PV}/${PN}-manual-${PV}.pdf
)
examples? (
https://github.com/${PN/-//}-tutorials/archive/v${PV}.tar.gz ->
${PN}-tutorials-${PV}.tar.gz )"
KEYWORDS="~amd64 ~x86 ~amd64-linux"
S="${WORKDIR}/${P#votca-}"
@@ -19,7 +17,6 @@ else
inherit git-r3
EGIT_REPO_URI="https://github.com/${PN/-//}.git";
KEYWORDS=""
- PDEPEND="${PDEPEND} doc? ( ~app-doc/${PN}-manual-${PV} )"
fi
DESCRIPTION="Votca coarse-graining engine"
@@ -61,6 +58,7 @@ src_configure() {
-DWITH_GMX=$(usex gromacs)
-DCMAKE_DISABLE_FIND_PACKAGE_HDF5=$(usex '!hdf5')
-DWITH_RC_FILES=OFF
+ -DBUILD_CSGAPPS=ON
)
cmake_src_configure
}
@@ -72,9 +70,6 @@ src_install() {
[[ ${i} = *csg_call ]] && continue
bashcomp_alias csg_call "${i##*/}"
done
- if use doc; then
- [[ ${PV} != ** ]] && dodoc
"${DISTDIR}/${PN}-manual-${PV}.pdf"
- fi
if use examples; then
insinto "/usr/share/doc/${PF}/tutorials"
docompress -x "/usr/share/doc/${PF}/tutorials"
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca-csg/
commit: 6bea91e91422c54464d111879d0666023d6f6cfd Author: Christoph Junghans gentoo org> AuthorDate: Wed Jan 13 00:44:03 2021 + Commit: Christoph Junghans gentoo org> CommitDate: Wed Jan 13 00:44:03 2021 + URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=6bea91e9 sci-chemistry/votca-csg: add v1.6.4 Package-Manager: Portage-3.0.9, Repoman-3.0.2 Signed-off-by: Christoph Junghans gentoo.org> sci-chemistry/votca-csg/Manifest | 3 + sci-chemistry/votca-csg/votca-csg-1.6.4.ebuild | 92 ++ 2 files changed, 95 insertions(+) diff --git a/sci-chemistry/votca-csg/Manifest b/sci-chemistry/votca-csg/Manifest index 2b1a53b094a..373cbaa92f2 100644 --- a/sci-chemistry/votca-csg/Manifest +++ b/sci-chemistry/votca-csg/Manifest @@ -5,6 +5,7 @@ DIST votca-csg-1.5.tar.gz 429164 BLAKE2B da04bd9ce8e879e9a961006256e03d160fa49fe DIST votca-csg-1.6.1.tar.gz 474044 BLAKE2B 36ededfffe7af5b87b2a031f69afbb9cc727af9454466163312e48c23719f6fe3cb727de96c419ae6e7d4901576013bd76f84d8e7e394cc65df4d83bd1ce30bb SHA512 b8f0f1bf2ca57ee9e2050b4a76e1d725ccb0908314886415f36d4e4554953b4e1c93f7c05502afb77f9b7b5ef3059ebbf7f223b965ba72ae45736798fa2e6ad9 DIST votca-csg-1.6.2.tar.gz 522982 BLAKE2B e0376e04e7baabaa45cab2cc87ff3d7574a35a4a50d87763bb42232eb6f110904b9fb5cdee0a8f2b4057a441a8ca5e276a8d44e14ec3609301832c2ed18cfd94 SHA512 e1d88cc9d18718f323355736afaf309940234001abb39414dd4990f1ff231ef3e8f71d51c78929c422c296b96f304fa17f6c9671071148ff1446bdc1eb442708 DIST votca-csg-1.6.3.tar.gz 523225 BLAKE2B 4edb53515957f86f272c0bfbef2d72086432665d97fec4bda6011aaf732a5878c2d85e23d15ac24e5051ae3d11328799b5a0d76cf5c13a1202e11be10fe16b0b SHA512 7804d17f5c79ab6420653e1f1007539edb8c22dab47b0a9c776d726c9ac955ae2e3740bcfa171d9a347b074692be81499329a54e9dcfa53a173a7be082739525 +DIST votca-csg-1.6.4.tar.gz 537966 BLAKE2B c9ccc3aa28bdc4a2a2c080104b70602d8cf4be19a71e7d0b4a1c03d11f54b645984103d1662823a9308a4e4c4baedef731de06ff314b168f89e7326c0d3c8ee9 SHA512 4cdbf6c0a593720675f48f574ff9a93d038a48037543c1e09a4559d3eb262a2d8bf83d5f5dab85b4820a541e0c57f7cca78315d5b3382763e8acd8cc0fcb65ac DIST votca-csg-1.6.tar.gz 464175 BLAKE2B 1871c7edc4b4e848a06049a7c687e906f166312777bdbf5c65be8efe8d5032582fdca9dc7eca453b7013901f409326b0583c79731c68fa2b4e6366f021958b0b SHA512 76cda93023d46a66ae31edcec0ece709ddc70a9be9d098721b945006c197ed3b6cbd1e643158797be518c4fe66f7b23d3e8d8735cbd9e155db3db0d79929cfbe DIST votca-csg-1.6_rc1.tar.gz 479265 BLAKE2B c4ba3c81eefd375eea6f8c0b1cd60f9cc80898fb7e8e811ecc286f06d94bd4316edfca277649ec3f7f8b751b2f2928ca2dfe61cc3b1c3060a324ea783c62003f SHA512 6622648ddc3308ca2f8e98d6dbcd28e33a4e0fb44d96ef94ebcaa2e87e5ba3ca2ab83dcc1de4fd0803dbc20ba7192f5fdd2c935b364ed4e2122b5948c10d4936 DIST votca-csg-manual-1.4.1.pdf 1282641 BLAKE2B 370b7c8997649555fd2360b999cf381c340a74c3747afda23d0e9d346367cc6d14d4e9a0e9ac82184945427d30050dd623dd1b6d8218c6ff3d2f17331987aaae SHA512 e89f41af05eaeb9ea499e8625cc98e2632ec647ec2d8c9c9052dcd4d2935d082b29b51495514e3e06e73ce42b8cda7017fc523a013569378e2bc86bf88ad32d4 @@ -14,6 +15,7 @@ DIST votca-csg-manual-1.5.pdf 1273566 BLAKE2B edfa2adb942d968cf79499e89342b7aaab DIST votca-csg-manual-1.6.1.pdf 1248350 BLAKE2B d4433974e38785fb968bd357ed2914515b2a22a78d6417597265bb1420b5af8b7b9849533a5faba571bcf635eff8385b244b2252bf7a20d3adb9318cd7115b03 SHA512 d627a9c7a71b8ac5e8d6ca109f0ea56978706b0dd1408aaf10b75b4b52f40b6150063248477ca2b5922f603e8d582ddd4dec3de73b3991db5fbb7bf204d347a3 DIST votca-csg-manual-1.6.2.pdf 1241907 BLAKE2B 9d51682099081cb8301eed10e7bb4f3afea89561626da5f3b361939d8d9b4ed15bb49392074bc19c530d413f4913afbf4ce612ee62e0e4d22c30f856a2019cbb SHA512 a85094bfa9ae2fcef52f42af162eb1a94ed30de9d7785aac03d7591177f6982dd315874566ce2671df508a3139ce8816c6becf0e0c1d0bfb9b675063810eb3e7 DIST votca-csg-manual-1.6.3.pdf 1242192 BLAKE2B 18097cd949b1c874b41b9e0df0ae3815027a5d7fe3d7a3b236ae2aacb269106265e9467a4d78dfefd6f51bcd514727d88500e43d759df0d23f76644833d4b2f7 SHA512 a631670100dd1f26f2fa815b714dc51c7551f2d92d2072af210778cc380bfdcbc70d01c0a47b88b0ea351d73a5fd334db1da8463d21c933d7af3d7af3b10ccc2 +DIST votca-csg-manual-1.6.4.pdf 1242124 BLAKE2B 003a255d2869c8185f9e03038f646a80b682be3daceb18757c791f5d52101379402aee20c5dcb65ef8ce651bd6f6590ad5249e835e53ce92e04eb33214017a9e SHA512 36956acd24a21cb0a1dd26d6640b41b7473132948327c05856191b4f9531b4d1d5f98be68a9d1a847935d47633d483e87c2300634233a6e617a010c1fb563690 DIST votca-csg-manual-1.6.pdf 1248178 BLAKE2B 5213d55787041db81fe8563febbf130db6aed9233e569039b66d69cfb173131353d45bef824640ee7b0a3fed7821ede4d5a6ce6ffc14d1548499317afdc0248a SHA512 e91d4b8397b67808c9671b9adbaad41fd9a0ede90066e220839d86f21a9bbcd4e433534faf1dfbca106d55af5a6cce0425a5bdfa3eb30ebe14469594da0129ca DIST votca-csg-manual-1.6_rc1.pdf 1248403 BLAKE2B b702eff4a36d27d592147f115f4e9080cbf580b6401141a14865395f0cb927c35f60035f92724e71e5edadbbe3e317f93989eb6f2e0a0e7b9f685e56851546d2 SHA512 2514bd2fee4bae787a3f8c07d1f1d90061a2
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca-csgapps/
commit: 2d055a98312384519412a8bf4e1d43c9882c86fa
Author: Christoph Junghans gentoo org>
AuthorDate: Wed Jan 13 00:44:40 2021 +
Commit: Christoph Junghans gentoo org>
CommitDate: Wed Jan 13 00:44:40 2021 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=2d055a98
sci-chemistry/votca-csgapps: add v1.6.4
Package-Manager: Portage-3.0.9, Repoman-3.0.2
Signed-off-by: Christoph Junghans gentoo.org>
sci-chemistry/votca-csgapps/Manifest | 1 +
.../votca-csgapps/votca-csgapps-1.6.4.ebuild | 33 ++
2 files changed, 34 insertions(+)
diff --git a/sci-chemistry/votca-csgapps/Manifest
b/sci-chemistry/votca-csgapps/Manifest
index ba12ae2fc2a..aa8c16ad7a9 100644
--- a/sci-chemistry/votca-csgapps/Manifest
+++ b/sci-chemistry/votca-csgapps/Manifest
@@ -5,5 +5,6 @@ DIST votca-csgapps-1.5.tar.gz 25975 BLAKE2B
185e759d658c6f763da2d26770766ec8ee05
DIST votca-csgapps-1.6.1.tar.gz 20128 BLAKE2B
509f684b84e7ebb718fbcf5b48adc732dc8c6b9f6478269e243dda3c980a5d91a46208863ac6227a07d90f6e2ea4e5cf2b50a7b34b6dbe2567d9a95ede4ee1de
SHA512
06e396c20990f7bb22ae8c888a36585b40a61280aa53a521c01128bbaadc1f449f85d4f41380ee3ce290defb64eca285be7dde1cd888f4cb69805695511a5b90
DIST votca-csgapps-1.6.2.tar.gz 19549 BLAKE2B
8aad4ff143a2073b4d17a4af0766898882ed011be4de814b6dca3cb4c1776fbee925fb4fef4ba1fd20d3aa3097440caeaab7fddb68b35322b5123868e7e2fbea
SHA512
f88f8ea41773b846ed7b3b910ad81c58a6dc1aabea5ae8ead030709c095e229b29443213854d358b4fa6518d8373b9a2acab741be2bbc33fec22d8f267f6cfe3
DIST votca-csgapps-1.6.3.tar.gz 19588 BLAKE2B
2de9490325832cbd0611cc97c7fff9594d1bff281da22ea8f7e5f054361d50dfc38145a627042ef24e91ba9c37de62b6f9efcdd8bd170ee6c0190802fdbce57e
SHA512
02215966ef9ea57089e9694cf0a1560f7a62e25dacbce80fea848e9d3d54a26be6174e6b4fe24ba7a6a13b675c0bdb5f407a7c30fc58a6b9c4bd826eb522f0b8
+DIST votca-csgapps-1.6.4.tar.gz 19589 BLAKE2B
90a20c3acef3254b412697dbb543c216d4546241c2f98d8b1e6c7fbd2de5dc5268965f1035843c6832579158843069c610ebbf3363d2e604a1c7c3dc82e3d8d2
SHA512
89ea658092e979c90b9f3d75a8dd9f8ec95278c26fafb30c31a23581dcd7a65e52c8c7696ef14da5821e283d16ab96880041b7b20c9097f99b2fc1eac4a38184
DIST votca-csgapps-1.6.tar.gz 20130 BLAKE2B
0c34fba42a70f756043aae89f51b94cc0a9c9a85680ed78c56b4c05f834d94c74aff59e4adf6155e5fab81d057da58ec420d843532af57beeaa6e81f82432d92
SHA512
5a85abaf6b09a225604f33f2e0cfb774525159e9bce89efd7ebfc0c9c37342e472503ff51c3065be2a4b87e95671f55164c630477f404f94b0510a83e262352f
DIST votca-csgapps-1.6_rc1.tar.gz 20138 BLAKE2B
9374911f761fd78f01721e8e10f3b9c14f2ba894735735e4d09f5e29eb1d1b69f4fa081699d7a93abfad2ebe55d6439edbb6db547618e6d2cfbaf7bbc8a79ca8
SHA512
153bd6e537175c9908739c60ce80830ebf57c0686f11b21fc541995cb5355d4a3f7f7ee7d1707bb85f5fc859bf260a3a167450175ffe8feb92044e8018be996b
diff --git a/sci-chemistry/votca-csgapps/votca-csgapps-1.6.4.ebuild
b/sci-chemistry/votca-csgapps/votca-csgapps-1.6.4.ebuild
new file mode 100644
index 000..22446817558
--- /dev/null
+++ b/sci-chemistry/votca-csgapps/votca-csgapps-1.6.4.ebuild
@@ -0,0 +1,33 @@
+# Copyright 1999-2021 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=7
+
+CMAKE_MAKEFILE_GENERATOR="ninja"
+
+inherit cmake
+
+if [ "${PV}" != "" ]; then
+ SRC_URI="https://github.com/${PN/-//}/archive/v${PV}.tar.gz ->
${P}.tar.gz"
+ KEYWORDS="~amd64 ~x86 ~amd64-linux"
+ S="${WORKDIR}/${P#votca-}"
+else
+ inherit git-r3
+ EGIT_REPO_URI="https://github.com/${PN/-//}.git";
+ KEYWORDS=""
+fi
+
+DESCRIPTION="Extra applications for votca-csg"
+HOMEPAGE="http://www.votca.org";
+
+LICENSE="Apache-2.0"
+SLOT="0"
+IUSE=""
+
+RDEPEND="
+ >=dev-cpp/eigen-3.3
+ ~sci-chemistry/${PN%apps}-${PV}"
+
+DEPEND="${RDEPEND}"
+
+DOCS=( README.md )
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca-csgapps/
commit: 32764db88eba4fa55ca905de1a24f480e1544cd6
Author: Christoph Junghans gentoo org>
AuthorDate: Wed Jan 13 00:47:38 2021 +
Commit: Christoph Junghans gentoo org>
CommitDate: Wed Jan 13 01:20:36 2021 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=32764db8
>sci-chemistry/votca-csgapps-1.6: was merged into >sci-chemistry/votca-csg-1.6
Package-Manager: Portage-3.0.9, Repoman-3.0.2
Signed-off-by: Christoph Junghans gentoo.org>
.../votca-csgapps/votca-csgapps-.ebuild| 33 --
1 file changed, 33 deletions(-)
diff --git a/sci-chemistry/votca-csgapps/votca-csgapps-.ebuild
b/sci-chemistry/votca-csgapps/votca-csgapps-.ebuild
deleted file mode 100644
index 22446817558..000
--- a/sci-chemistry/votca-csgapps/votca-csgapps-.ebuild
+++ /dev/null
@@ -1,33 +0,0 @@
-# Copyright 1999-2021 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=7
-
-CMAKE_MAKEFILE_GENERATOR="ninja"
-
-inherit cmake
-
-if [ "${PV}" != "" ]; then
- SRC_URI="https://github.com/${PN/-//}/archive/v${PV}.tar.gz ->
${P}.tar.gz"
- KEYWORDS="~amd64 ~x86 ~amd64-linux"
- S="${WORKDIR}/${P#votca-}"
-else
- inherit git-r3
- EGIT_REPO_URI="https://github.com/${PN/-//}.git";
- KEYWORDS=""
-fi
-
-DESCRIPTION="Extra applications for votca-csg"
-HOMEPAGE="http://www.votca.org";
-
-LICENSE="Apache-2.0"
-SLOT="0"
-IUSE=""
-
-RDEPEND="
- >=dev-cpp/eigen-3.3
- ~sci-chemistry/${PN%apps}-${PV}"
-
-DEPEND="${RDEPEND}"
-
-DOCS=( README.md )
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca-xtp/
commit: 3c0e2e08edfcfb89f32733cf81ef268f24a9796a
Author: Christoph Junghans gentoo org>
AuthorDate: Wed Jan 13 01:18:05 2021 +
Commit: Christoph Junghans gentoo org>
CommitDate: Wed Jan 13 01:20:37 2021 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=3c0e2e08
sci-chemistry/votca-xtp: add v1.6.4
Package-Manager: Portage-3.0.9, Repoman-3.0.2
Signed-off-by: Christoph Junghans gentoo.org>
sci-chemistry/votca-xtp/Manifest | 1 +
sci-chemistry/votca-xtp/votca-xtp-1.6.4.ebuild | 45 ++
2 files changed, 46 insertions(+)
diff --git a/sci-chemistry/votca-xtp/Manifest b/sci-chemistry/votca-xtp/Manifest
index af3c7ca11cc..9c731d37fe5 100644
--- a/sci-chemistry/votca-xtp/Manifest
+++ b/sci-chemistry/votca-xtp/Manifest
@@ -5,6 +5,7 @@ DIST votca-xtp-1.5.tar.gz 14637712 BLAKE2B
af04de706f0d100968928459a03b6a94a94a2
DIST votca-xtp-1.6.1.tar.gz 1405246 BLAKE2B
b32db1e50ebfd79683ea2bf990293d9dfcf7703f3d95467a3fac5f98ec98e9bf1d29bab079e8f328fab8998144af186e7f47e99d9312763f7d73a1ae364ce58a
SHA512
8b1bb235e70c239d0c57ceac65cd384841ea136d61f28bc72cbe2cfb47f9d776d42e06180acd1d8da93d0a0586e0bc3884ed82830d0f31c498ce225ca79a45aa
DIST votca-xtp-1.6.2.tar.gz 1405868 BLAKE2B
4e5700cec41ede632b97904259040aef2b79f9698547bf508584e49ff5cb16ab627c31732136de67bed3f70af9bf890a25bf511e8d9278821107760fc29441b7
SHA512
64610239ef5b902daa4ff475b4fea194912ef2a50e24214fcecf7d63336208a642c5ae5f02b0f21d04a78acaef224ba9a29b06b9380dbd6a43553e704efc54fe
DIST votca-xtp-1.6.3.tar.gz 1405361 BLAKE2B
35b73f754f6485c96624e75db7583559601e286d1a782259266f7a4e210ab21615d8ba6d308975483428091bf58a55b8fc96327543c17f8b5786744560cdf239
SHA512
2de786a10a3776b6a6e187cd1c42b173cb912b1169b6283ccd245fac9b2f03a94235b2ff8a372dee83e33f6669211b1f79573b099ad9775971ece79a88ac990c
+DIST votca-xtp-1.6.4.tar.gz 1405299 BLAKE2B
9d4e9d3f87e0c6be886df77bf52f9d8c0b4010fb1d77621a51b739986f3f5d70c85637c0d7b4d6a8a06d7dfc7e70ff5491bdc833a1b9da6fe1e8a9742a82d220
SHA512
f35e9605f4ac92547c801b254de792b5c3bf40200e8636869467997412357251df08f88ad851bc76cb0ba15428f06f28dbd4f64043a7612273468c8d653e52af
DIST votca-xtp-1.6.tar.gz 1404955 BLAKE2B
1599281ea1cd6b5a93b1d91f69a793af7bb9cd2fbf70157e5d40a5bfc72f973f3d97338f92157c2c482ad041f8afda298282b1f83dda66d0bb189bdc07bb5a23
SHA512
cb99c31fe7f1af53b8ccf50cc9cc304ed5c5b5d1a165e1a72a456c0bbf5ac8bb9263c9eff829acc74be348192afbf80fd4d80a2c20d1dd5d7f909b1b50368670
DIST votca-xtp-1.6_rc1.tar.gz 13586771 BLAKE2B
d5b72a7389b77df0570eac0021870bba3fa66a89b3a2df1e08632b1c1827884d101ef8d972762dae35e44e53e7a9fe9278d3204eec09c35d091ab3427b055be4
SHA512
0b54eddcf944967b1d41f75f4887eba9edc3be18b94d319e93e795a24f58a2877d7f60afd806290eacb41d329d1b1206ebaab83874d6be2d5b026f06dbc19dfd
DIST votca-xtp-manual-1.4.1.pdf 1066873 BLAKE2B
8cbd4b55b013794a19a8b5867b929b8e2d9084e6780d777b2a2bbaea23006f4f4ec5b26bd4a07c59e1c6726f23471eb1756b668636e0c4e656a0807e64197586
SHA512
fdf1147f24785524f5e96020fcd29c32bbeef520eebf6afba32b59d7e777d586c452919478d2734c3f021e558b1147b945cdbc0833402be2b16e5af3a8e37f5f
diff --git a/sci-chemistry/votca-xtp/votca-xtp-1.6.4.ebuild
b/sci-chemistry/votca-xtp/votca-xtp-1.6.4.ebuild
new file mode 100644
index 000..a709871034b
--- /dev/null
+++ b/sci-chemistry/votca-xtp/votca-xtp-1.6.4.ebuild
@@ -0,0 +1,45 @@
+# Copyright 1999-2021 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=7
+
+CMAKE_MAKEFILE_GENERATOR="ninja"
+
+inherit bash-completion-r1 cmake multilib
+
+IUSE=""
+if [ "${PV}" != "" ]; then
+ SRC_URI="https://github.com/${PN/-//}/archive/v${PV}.tar.gz ->
${P}.tar.gz"
+ KEYWORDS="~amd64 ~x86 ~amd64-linux"
+ S="${WORKDIR}/${P#votca-}"
+else
+ inherit git-r3
+ EGIT_REPO_URI="https://github.com/${PN/-//}.git";
+ KEYWORDS=""
+fi
+
+DESCRIPTION="Votca excitation and charge properties module"
+HOMEPAGE="http://www.votca.org";
+
+LICENSE="Apache-2.0"
+SLOT="0"
+
+RDEPEND="
+ ~sci-libs/votca-tools-${PV}
+ >=dev-cpp/eigen-3.3
+ sci-libs/hdf5[cxx]
+ ~sci-chemistry/votca-csg-${PV}
+ sci-libs/libxc"
+
+DEPEND="${RDEPEND}
+ virtual/pkgconfig"
+
+DOCS=( README.md NOTICE CHANGELOG.md )
+
+pkg_postinst() {
+ einfo
+ einfo "Please read and cite:"
+ einfo "VOTCA-XTP, J. Chem. Theo. Comp. 14, 6353 (2018)"
+ einfo "https://doi.org/10.1021/acs.jctc.8b00617";
+ einfo
+}
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca-ctp/
commit: 3595e29a9245019ce95348a943b8b3067f3ae626
Author: Jakov Smolic sartura hr>
AuthorDate: Mon Jan 18 10:14:14 2021 +
Commit: David Seifert gentoo org>
CommitDate: Mon Jan 18 10:14:14 2021 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=3595e29a
sci-chemistry/votca-ctp: Remove old
Signed-off-by: Jakov Smolic sartura.hr>
Signed-off-by: David Seifert gentoo.org>
sci-chemistry/votca-ctp/Manifest | 2 -
sci-chemistry/votca-ctp/votca-ctp-1.5.ebuild | 71
2 files changed, 73 deletions(-)
diff --git a/sci-chemistry/votca-ctp/Manifest b/sci-chemistry/votca-ctp/Manifest
index 9c5c7ef28f0..edb30790279 100644
--- a/sci-chemistry/votca-ctp/Manifest
+++ b/sci-chemistry/votca-ctp/Manifest
@@ -1,4 +1,2 @@
DIST votca-ctp-1.5.1.tar.gz 1345994 BLAKE2B
6e927c5d57abfff335412bdac085c9dd81696503310e58a89bf2207b07f9d9900d11d20176a11fbde6d6cdfa97f50faa5e877889e35201ad9ed5dd93dbc158cb
SHA512
686d7193cdd6a763197dd4f332554c9c6c2022c539191d0a243e70450aa2a4c7048fff3c06636aee09525516fb3717fe49934d5daf2dfcdcbc08be416cc4b6c0
-DIST votca-ctp-1.5.tar.gz 1345419 BLAKE2B
148846b9118cabfa541eb4fe0129e366d0c447e2daf969833beb5df91ca7b43f0262c5845303ccf05ed8d3f9e2c2a5e0f876ec97c2601419ed04a28d56640494
SHA512
bc4dbddcefb473015a6513f44f4fddd5995a8598f82505e81b3c50ae771e64e8c979f39a347ab2deb55054e7efffad28b5ff3f73d2c1b8905bcaf6f007ff2959
DIST votca-ctp-manual-1.5.1.pdf 948647 BLAKE2B
4afec48d0e6bb29dc86d4d22fce74a8d2197d6b7a1ed35a5b09af84c5bbc0fc49b91e045c85e5b5ab79beb5a7de1db78a15e395a1a5faf4c11cc1b58c1ffca97
SHA512
b4ae79b2da0037cc325fdff3b0fd8d142d6bfdad5bc11991cee314f40f105bcdcb1189d17679a84eb37da7a9bb686d0c5ee57c7796a0c6b787b70d53222dbc17
-DIST votca-ctp-manual-1.5.pdf 970539 BLAKE2B
8646215a4c2cd7be6d4c03820f00b8067e15c27f51fb6678540026cff1af0e28dffa528423ad47a4047a8f84fc1078d503a56a4a235e004735f0276ec1a6a33e
SHA512
a315c1b4b37461f4f0d30ead1fec2ca33ff23d81c9d5e4d888ef7d7dd722f68f9596826f828f8a76841d6dde6889f623b73d9fe0f8a6c5a7cec1c16a83cf9030
diff --git a/sci-chemistry/votca-ctp/votca-ctp-1.5.ebuild
b/sci-chemistry/votca-ctp/votca-ctp-1.5.ebuild
deleted file mode 100644
index e21caf21790..000
--- a/sci-chemistry/votca-ctp/votca-ctp-1.5.ebuild
+++ /dev/null
@@ -1,71 +0,0 @@
-# Copyright 1999-2021 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=6
-
-CMAKE_MAKEFILE_GENERATOR="ninja"
-
-inherit cmake-utils multilib
-
-IUSE="doc"
-if [ "${PV}" != "" ]; then
- SRC_URI="https://github.com/${PN/-//}/archive/v${PV}.tar.gz ->
${P}.tar.gz
- doc? (
https://github.com/${PN/-//}/releases/download/v${PV}/${PN}-manual-${PV}.pdf )"
- KEYWORDS="~amd64 ~x86 ~amd64-linux"
- S="${WORKDIR}/${P#votca-}"
-else
- inherit git-r3
- EGIT_REPO_URI="https://github.com/${PN/-//}.git";
- KEYWORDS=""
-fi
-
-DESCRIPTION="Votca charge transport module"
-HOMEPAGE="http://www.votca.org";
-
-LICENSE="Apache-2.0"
-SLOT="0"
-
-RDEPEND="
- ~sci-libs/votca-tools-${PV}[sqlite]
- >=dev-cpp/eigen-3.3
- sci-libs/gsl
- ~sci-chemistry/votca-csg-${PV}"
-
-DEPEND="${RDEPEND}
- virtual/pkgconfig"
-
-if [ "${PV}" != "" ]; then
- DEPEND="${DEPEND}
- doc? (
- app-doc/doxygen[dot]
- dev-texlive/texlive-latexextra
- virtual/latex-base
- dev-tex/pgf
- )"
-fi
-
-DOCS=( README.md NOTICE CHANGELOG.md )
-
-src_configure() {
- [[ ${PV} = ** ]] && mycmakeargs=(
- -DBUILD_XTP_MANUAL=$(usex doc)
- )
- cmake-utils_src_configure
-}
-
-src_install() {
- cmake-utils_src_install
- if use doc; then
- [[ ${PV} != ** ]] && dodoc
"${DISTDIR}/${PN}-manual-${PV}.pdf"
- cmake-utils_src_make -C "${CMAKE_BUILD_DIR}" html
- dodoc -r "${CMAKE_BUILD_DIR}"/share/doc/html
- fi
-}
-
-pkg_postinst() {
- einfo
- einfo "Please read and cite:"
- einfo "VOTCA-CTP, J. Chem. Theo. Comp. 7, 3335-3345 (2011)"
- einfo "https://dx.doi.org/10.1021/ct200388s";
- einfo
-}
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca-xtp/
commit: b0107ef194734a10768e6529c7fe8d670ae161ec Author: Jakov Smolic sartura hr> AuthorDate: Mon Jan 18 10:14:18 2021 + Commit: David Seifert gentoo org> CommitDate: Mon Jan 18 10:14:18 2021 + URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=b0107ef1 sci-chemistry/votca-xtp: Remove old Signed-off-by: Jakov Smolic sartura.hr> Signed-off-by: David Seifert gentoo.org> sci-chemistry/votca-xtp/Manifest | 12 sci-chemistry/votca-xtp/votca-xtp-1.4.1.ebuild | 71 --- sci-chemistry/votca-xtp/votca-xtp-1.4.ebuild | 71 --- sci-chemistry/votca-xtp/votca-xtp-1.5.1.ebuild | 73 sci-chemistry/votca-xtp/votca-xtp-1.5.ebuild | 73 sci-chemistry/votca-xtp/votca-xtp-1.6.1.ebuild | 45 --- sci-chemistry/votca-xtp/votca-xtp-1.6.2.ebuild | 45 --- sci-chemistry/votca-xtp/votca-xtp-1.6.3.ebuild | 45 --- sci-chemistry/votca-xtp/votca-xtp-1.6_rc1.ebuild | 45 --- 9 files changed, 480 deletions(-) diff --git a/sci-chemistry/votca-xtp/Manifest b/sci-chemistry/votca-xtp/Manifest index 9c731d37fe5..c0ed4cb5aac 100644 --- a/sci-chemistry/votca-xtp/Manifest +++ b/sci-chemistry/votca-xtp/Manifest @@ -1,14 +1,2 @@ -DIST votca-xtp-1.4.1.tar.gz 15214413 BLAKE2B 0f6e67179e2ee1fa8ab79ca0c2d810f9867dab474b50d49316aaed33a01b5cf93a129558792fff2851b8f1b7794ab423c25e4b6f6bce6809520ff40234b14e93 SHA512 1a3f5df3dc9a7f532464ef84ff4f4f8e60b9495529f349ab5e496595e73fff8f4678b8276b2c5733dd3f692ca03220e7d0bc4a82163017572428c0d1dd5f91fd -DIST votca-xtp-1.4.tar.gz 15214266 BLAKE2B 435ba1603495d904ccce20b4fa665d3a1c62fc04005ea89cf83b431240fb78f8a44f09ad619af331802e43ca3d05b20a4c60c75360940d4f786c0030fd7a SHA512 ffc32260331862393e199f7ab643b1008ee4f800cd017f175550a079afaa20e5c929cb8599bc0c2a2328253051895de7b979f5fec044243abc680a0dc87a69b9 -DIST votca-xtp-1.5.1.tar.gz 14634849 BLAKE2B 84ee9fc531a530ba276a6fd3eccc78dd25c27346db76871f33fe307dde451956bf091b636dd5594bf3b8b24a727fe7e5a730fb85cd2cbb0e5605705996e69bd2 SHA512 8fb6891e84d4d685e26287344554b705c607e7cb9f497c00ac9cd8328e50210c56706abdb7004b83d4addbfbc7b35c3526b4feabf75f681362b3b7a39c54b668 -DIST votca-xtp-1.5.tar.gz 14637712 BLAKE2B af04de706f0d100968928459a03b6a94a94a211b3f5bd056d123756d40760fb0ada70add429ed5b86e211dbdd3b91aa4cf12e51a260638766d04158e7b5a1201 SHA512 693f34004749edfbabcd0a19dc23b3de3c09858c7c0dfe1e420b92632397971e3687489c1074a489d4d2fd337ddc5749c419869db104c65736e7c01bf12cd140 -DIST votca-xtp-1.6.1.tar.gz 1405246 BLAKE2B b32db1e50ebfd79683ea2bf990293d9dfcf7703f3d95467a3fac5f98ec98e9bf1d29bab079e8f328fab8998144af186e7f47e99d9312763f7d73a1ae364ce58a SHA512 8b1bb235e70c239d0c57ceac65cd384841ea136d61f28bc72cbe2cfb47f9d776d42e06180acd1d8da93d0a0586e0bc3884ed82830d0f31c498ce225ca79a45aa -DIST votca-xtp-1.6.2.tar.gz 1405868 BLAKE2B 4e5700cec41ede632b97904259040aef2b79f9698547bf508584e49ff5cb16ab627c31732136de67bed3f70af9bf890a25bf511e8d9278821107760fc29441b7 SHA512 64610239ef5b902daa4ff475b4fea194912ef2a50e24214fcecf7d63336208a642c5ae5f02b0f21d04a78acaef224ba9a29b06b9380dbd6a43553e704efc54fe -DIST votca-xtp-1.6.3.tar.gz 1405361 BLAKE2B 35b73f754f6485c96624e75db7583559601e286d1a782259266f7a4e210ab21615d8ba6d308975483428091bf58a55b8fc96327543c17f8b5786744560cdf239 SHA512 2de786a10a3776b6a6e187cd1c42b173cb912b1169b6283ccd245fac9b2f03a94235b2ff8a372dee83e33f6669211b1f79573b099ad9775971ece79a88ac990c DIST votca-xtp-1.6.4.tar.gz 1405299 BLAKE2B 9d4e9d3f87e0c6be886df77bf52f9d8c0b4010fb1d77621a51b739986f3f5d70c85637c0d7b4d6a8a06d7dfc7e70ff5491bdc833a1b9da6fe1e8a9742a82d220 SHA512 f35e9605f4ac92547c801b254de792b5c3bf40200e8636869467997412357251df08f88ad851bc76cb0ba15428f06f28dbd4f64043a7612273468c8d653e52af DIST votca-xtp-1.6.tar.gz 1404955 BLAKE2B 1599281ea1cd6b5a93b1d91f69a793af7bb9cd2fbf70157e5d40a5bfc72f973f3d97338f92157c2c482ad041f8afda298282b1f83dda66d0bb189bdc07bb5a23 SHA512 cb99c31fe7f1af53b8ccf50cc9cc304ed5c5b5d1a165e1a72a456c0bbf5ac8bb9263c9eff829acc74be348192afbf80fd4d80a2c20d1dd5d7f909b1b50368670 -DIST votca-xtp-1.6_rc1.tar.gz 13586771 BLAKE2B d5b72a7389b77df0570eac0021870bba3fa66a89b3a2df1e08632b1c1827884d101ef8d972762dae35e44e53e7a9fe9278d3204eec09c35d091ab3427b055be4 SHA512 0b54eddcf944967b1d41f75f4887eba9edc3be18b94d319e93e795a24f58a2877d7f60afd806290eacb41d329d1b1206ebaab83874d6be2d5b026f06dbc19dfd -DIST votca-xtp-manual-1.4.1.pdf 1066873 BLAKE2B 8cbd4b55b013794a19a8b5867b929b8e2d9084e6780d777b2a2bbaea23006f4f4ec5b26bd4a07c59e1c6726f23471eb1756b668636e0c4e656a0807e64197586 SHA512 fdf1147f24785524f5e96020fcd29c32bbeef520eebf6afba32b59d7e777d586c452919478d2734c3f021e558b1147b945cdbc0833402be2b16e5af3a8e37f5f -DIST votca-xtp-manual-1.4.pdf 1064006 BLAKE2B e4f0c20c6d40a5f58b863258cc122e5a7cf376b7138927c0a6bdd400841c330fc013287513258f6f68609e39f0bf39b965fd099171594c5e2730fba82a2488d4 SHA512 96d7f59dbcc3a6efdc297237025217d5a56d2c8
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca-csg/
commit: 0c83cf945533b2e5dacdaf429edd342a9713c59a Author: Jakov Smolic sartura hr> AuthorDate: Mon Jan 18 10:14:19 2021 + Commit: David Seifert gentoo org> CommitDate: Mon Jan 18 10:14:19 2021 + URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=0c83cf94 sci-chemistry/votca-csg: Remove old Signed-off-by: Jakov Smolic sartura.hr> Signed-off-by: David Seifert gentoo.org> sci-chemistry/votca-csg/Manifest | 21 - sci-chemistry/votca-csg/votca-csg-1.4.1.ebuild | 113 --- sci-chemistry/votca-csg/votca-csg-1.4.ebuild | 113 --- sci-chemistry/votca-csg/votca-csg-1.5.ebuild | 100 sci-chemistry/votca-csg/votca-csg-1.6.1.ebuild | 92 -- sci-chemistry/votca-csg/votca-csg-1.6.2.ebuild | 92 -- sci-chemistry/votca-csg/votca-csg-1.6.3.ebuild | 92 -- sci-chemistry/votca-csg/votca-csg-1.6_rc1.ebuild | 92 -- 8 files changed, 715 deletions(-) diff --git a/sci-chemistry/votca-csg/Manifest b/sci-chemistry/votca-csg/Manifest index 373cbaa92f2..cad8d248e11 100644 --- a/sci-chemistry/votca-csg/Manifest +++ b/sci-chemistry/votca-csg/Manifest @@ -1,30 +1,9 @@ -DIST votca-csg-1.4.1.tar.gz 347702 BLAKE2B 8c98804bafd75148fa72a9e119d4448ab9b04fb6f305e1e162a18013871d03778873a50670ce06bb218fc063f51ad67efc4a182c2d7bb46f91b59e30181b71d6 SHA512 87f2798c9b5f2d82ae1c158238f7a3b7007c7ceb7ce82503f0b002f605f2cc0b5ca4c8ef24fab571efae63a81e7a60bc476b5433962c239de4f5d42bae3c10ea -DIST votca-csg-1.4.tar.gz 346527 BLAKE2B 8f0a41f9aa9fd865e2e544d5fd587d93d631edc2dabab8edfc3461582da2e0401a266a42be1c0f1e6647502cdcccee55b5bba891aa156394012b8b5e1b06f7e8 SHA512 26318644c7af2dfa1b81242b27ffac98f2180c3a1f05581bc50a00f644cec4b19ffbaf41c9d941a4714171b56ae93fe41f1a663cd0593ae2b0be2da379119d9b DIST votca-csg-1.5.1.tar.gz 708319 BLAKE2B 2ea75cf08dc3005bd08ebe85113d95743fe85bae4b7ac3c2e2d9b64be64a7103ecf30b9edf45cffa86b7588d5c57a0256aef02f4590fa6031cb63881480bd0fd SHA512 3559452182c325d5df72918ec6e12122c8214df9733d779c123ff199597fe47fc493fd75adf1f5dbc6b55016373863378ba3cc69fb6b61bc1531c6e591d8131c -DIST votca-csg-1.5.tar.gz 429164 BLAKE2B da04bd9ce8e879e9a961006256e03d160fa49fe77aa2f1eff0986b338296b04137bb087ecfabb7f2fc855b0ccd83dc4fd65c43303bf5f2eef0519d27b0ec SHA512 c5a77ded3c9b2582494bea55b464689d566d4155713af823dccc6999f98438444d51fae3948144f82c2aaf3914eee740fe21e8828af689d37ab0b5ffea0605fa -DIST votca-csg-1.6.1.tar.gz 474044 BLAKE2B 36ededfffe7af5b87b2a031f69afbb9cc727af9454466163312e48c23719f6fe3cb727de96c419ae6e7d4901576013bd76f84d8e7e394cc65df4d83bd1ce30bb SHA512 b8f0f1bf2ca57ee9e2050b4a76e1d725ccb0908314886415f36d4e4554953b4e1c93f7c05502afb77f9b7b5ef3059ebbf7f223b965ba72ae45736798fa2e6ad9 -DIST votca-csg-1.6.2.tar.gz 522982 BLAKE2B e0376e04e7baabaa45cab2cc87ff3d7574a35a4a50d87763bb42232eb6f110904b9fb5cdee0a8f2b4057a441a8ca5e276a8d44e14ec3609301832c2ed18cfd94 SHA512 e1d88cc9d18718f323355736afaf309940234001abb39414dd4990f1ff231ef3e8f71d51c78929c422c296b96f304fa17f6c9671071148ff1446bdc1eb442708 -DIST votca-csg-1.6.3.tar.gz 523225 BLAKE2B 4edb53515957f86f272c0bfbef2d72086432665d97fec4bda6011aaf732a5878c2d85e23d15ac24e5051ae3d11328799b5a0d76cf5c13a1202e11be10fe16b0b SHA512 7804d17f5c79ab6420653e1f1007539edb8c22dab47b0a9c776d726c9ac955ae2e3740bcfa171d9a347b074692be81499329a54e9dcfa53a173a7be082739525 DIST votca-csg-1.6.4.tar.gz 537966 BLAKE2B c9ccc3aa28bdc4a2a2c080104b70602d8cf4be19a71e7d0b4a1c03d11f54b645984103d1662823a9308a4e4c4baedef731de06ff314b168f89e7326c0d3c8ee9 SHA512 4cdbf6c0a593720675f48f574ff9a93d038a48037543c1e09a4559d3eb262a2d8bf83d5f5dab85b4820a541e0c57f7cca78315d5b3382763e8acd8cc0fcb65ac DIST votca-csg-1.6.tar.gz 464175 BLAKE2B 1871c7edc4b4e848a06049a7c687e906f166312777bdbf5c65be8efe8d5032582fdca9dc7eca453b7013901f409326b0583c79731c68fa2b4e6366f021958b0b SHA512 76cda93023d46a66ae31edcec0ece709ddc70a9be9d098721b945006c197ed3b6cbd1e643158797be518c4fe66f7b23d3e8d8735cbd9e155db3db0d79929cfbe -DIST votca-csg-1.6_rc1.tar.gz 479265 BLAKE2B c4ba3c81eefd375eea6f8c0b1cd60f9cc80898fb7e8e811ecc286f06d94bd4316edfca277649ec3f7f8b751b2f2928ca2dfe61cc3b1c3060a324ea783c62003f SHA512 6622648ddc3308ca2f8e98d6dbcd28e33a4e0fb44d96ef94ebcaa2e87e5ba3ca2ab83dcc1de4fd0803dbc20ba7192f5fdd2c935b364ed4e2122b5948c10d4936 -DIST votca-csg-manual-1.4.1.pdf 1282641 BLAKE2B 370b7c8997649555fd2360b999cf381c340a74c3747afda23d0e9d346367cc6d14d4e9a0e9ac82184945427d30050dd623dd1b6d8218c6ff3d2f17331987aaae SHA512 e89f41af05eaeb9ea499e8625cc98e2632ec647ec2d8c9c9052dcd4d2935d082b29b51495514e3e06e73ce42b8cda7017fc523a013569378e2bc86bf88ad32d4 -DIST votca-csg-manual-1.4.pdf 1281983 BLAKE2B 5659c2e327ba7bb00fac15adfb578288d546b509366863f593776a62dd3064662535d4fd525f1063f5ccaf47446822f13fefd7f66aa9d68cd1a4a7c99d66a790 SHA512 2e1f4a4375d83df9bd357d4d17e79d26a3a31c9177f008de86721427ffc6f43a5000ec840691108b52a8aecf962321ba6363cd975c7445d7230ee
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca-csgapps/
commit: b84057ba5065229cfcd3435e18462264b4d7d45e
Author: Jakov Smolic sartura hr>
AuthorDate: Mon Jan 18 10:14:17 2021 +
Commit: David Seifert gentoo org>
CommitDate: Mon Jan 18 10:14:17 2021 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=b84057ba
sci-chemistry/votca-csgapps: Remove old
Signed-off-by: Jakov Smolic sartura.hr>
Signed-off-by: David Seifert gentoo.org>
sci-chemistry/votca-csgapps/Manifest | 7 -
.../votca-csgapps/votca-csgapps-1.4.1.ebuild | 31
.../votca-csgapps/votca-csgapps-1.4.ebuild | 31
.../votca-csgapps/votca-csgapps-1.5.ebuild | 33 --
.../votca-csgapps/votca-csgapps-1.6.1.ebuild | 33 --
.../votca-csgapps/votca-csgapps-1.6.2.ebuild | 33 --
.../votca-csgapps/votca-csgapps-1.6.3.ebuild | 33 --
.../votca-csgapps/votca-csgapps-1.6_rc1.ebuild | 33 --
8 files changed, 234 deletions(-)
diff --git a/sci-chemistry/votca-csgapps/Manifest
b/sci-chemistry/votca-csgapps/Manifest
index aa8c16ad7a9..3db30f3005f 100644
--- a/sci-chemistry/votca-csgapps/Manifest
+++ b/sci-chemistry/votca-csgapps/Manifest
@@ -1,10 +1,3 @@
-DIST votca-csgapps-1.4.1.tar.gz 21066 BLAKE2B
8e1d25957b7c62d2182872de4d0c50c90fefdf699ec5e9e785916791e9cc06db2dbcbbdbaf7afe6921e34179e12dfa2326eb9464261801e48177ec69126ae2bb
SHA512
80881ac173b56b07825c484f98c598de8d74bb8a54b888f06cc3a20d15670b49059e50adc210308e21ee4ea9038cf564c08d7ab33c4a43864acb1de97bc3fcef
-DIST votca-csgapps-1.4.tar.gz 21072 BLAKE2B
30c2f6692544741bfbec09efea2f68ae48cd4716e61e40d3da12a17ad941f2947cc6a8477229b80e420e217a95adff4152a07215e2e913e71736b61ba1ac226a
SHA512
325c99606f17d7bb00e2cc3b1545f31dd4cf1fbc0d216f2da2c48e06b2011c9f99096643a6c6efd794a169de056f803f791c156afec4a73e41c58bc4ca1055f9
DIST votca-csgapps-1.5.1.tar.gz 26006 BLAKE2B
8651978c15087fc7332fe229cfc33d8c4257faf46d72f7ac5fbaaf5f31133c4df3d97cae2b18730b5700e742c27e3db39696fdfe910ed884952ba0f832220c3d
SHA512
4f83a46f16eb0a4cb9acc6c0d9523fa746dcf670107355c95fc02daa6ca91fb4f8d5e48bc920d8c13a9445390a25415f7217979903ea86f890df1d4704944c28
-DIST votca-csgapps-1.5.tar.gz 25975 BLAKE2B
185e759d658c6f763da2d26770766ec8ee05017b4c6a67e13915de04fbf2ecf268f2f800c5e18ef0f38c615340b0db163e886dc98a9395a69359f94dc8773f60
SHA512
20dda9d07ef2f33c9decff2766ece8f24cf2562993b4dfb7dd637d84325b835a6ecd30d34c5cfb9c428dbf72c2b5dfe9fd49d266182704b981db151c3c4ea2e4
-DIST votca-csgapps-1.6.1.tar.gz 20128 BLAKE2B
509f684b84e7ebb718fbcf5b48adc732dc8c6b9f6478269e243dda3c980a5d91a46208863ac6227a07d90f6e2ea4e5cf2b50a7b34b6dbe2567d9a95ede4ee1de
SHA512
06e396c20990f7bb22ae8c888a36585b40a61280aa53a521c01128bbaadc1f449f85d4f41380ee3ce290defb64eca285be7dde1cd888f4cb69805695511a5b90
-DIST votca-csgapps-1.6.2.tar.gz 19549 BLAKE2B
8aad4ff143a2073b4d17a4af0766898882ed011be4de814b6dca3cb4c1776fbee925fb4fef4ba1fd20d3aa3097440caeaab7fddb68b35322b5123868e7e2fbea
SHA512
f88f8ea41773b846ed7b3b910ad81c58a6dc1aabea5ae8ead030709c095e229b29443213854d358b4fa6518d8373b9a2acab741be2bbc33fec22d8f267f6cfe3
-DIST votca-csgapps-1.6.3.tar.gz 19588 BLAKE2B
2de9490325832cbd0611cc97c7fff9594d1bff281da22ea8f7e5f054361d50dfc38145a627042ef24e91ba9c37de62b6f9efcdd8bd170ee6c0190802fdbce57e
SHA512
02215966ef9ea57089e9694cf0a1560f7a62e25dacbce80fea848e9d3d54a26be6174e6b4fe24ba7a6a13b675c0bdb5f407a7c30fc58a6b9c4bd826eb522f0b8
DIST votca-csgapps-1.6.4.tar.gz 19589 BLAKE2B
90a20c3acef3254b412697dbb543c216d4546241c2f98d8b1e6c7fbd2de5dc5268965f1035843c6832579158843069c610ebbf3363d2e604a1c7c3dc82e3d8d2
SHA512
89ea658092e979c90b9f3d75a8dd9f8ec95278c26fafb30c31a23581dcd7a65e52c8c7696ef14da5821e283d16ab96880041b7b20c9097f99b2fc1eac4a38184
DIST votca-csgapps-1.6.tar.gz 20130 BLAKE2B
0c34fba42a70f756043aae89f51b94cc0a9c9a85680ed78c56b4c05f834d94c74aff59e4adf6155e5fab81d057da58ec420d843532af57beeaa6e81f82432d92
SHA512
5a85abaf6b09a225604f33f2e0cfb774525159e9bce89efd7ebfc0c9c37342e472503ff51c3065be2a4b87e95671f55164c630477f404f94b0510a83e262352f
-DIST votca-csgapps-1.6_rc1.tar.gz 20138 BLAKE2B
9374911f761fd78f01721e8e10f3b9c14f2ba894735735e4d09f5e29eb1d1b69f4fa081699d7a93abfad2ebe55d6439edbb6db547618e6d2cfbaf7bbc8a79ca8
SHA512
153bd6e537175c9908739c60ce80830ebf57c0686f11b21fc541995cb5355d4a3f7f7ee7d1707bb85f5fc859bf260a3a167450175ffe8feb92044e8018be996b
diff --git a/sci-chemistry/votca-csgapps/votca-csgapps-1.4.1.ebuild
b/sci-chemistry/votca-csgapps/votca-csgapps-1.4.1.ebuild
deleted file mode 100644
index 65ff12de560..000
--- a/sci-chemistry/votca-csgapps/votca-csgapps-1.4.1.ebuild
+++ /dev/null
@@ -1,31 +0,0 @@
-# Copyright 1999-2021 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=6
-
-CMAKE_MAKEFILE_GENERATOR="ninja"
-
-inherit cmake-utils
-
-if [ "${PV}" != "" ]; then
- SRC_URI="https://github.com/${PN/-//}/archive/v${PV}.tar.
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca-csg/
commit: a8bd6bd4f99aa6fd57e0847f1aea964b5bd6fda8
Author: Fabian Groffen gentoo org>
AuthorDate: Wed Jan 6 15:10:22 2021 +
Commit: Fabian Groffen gentoo org>
CommitDate: Wed Jan 6 15:10:22 2021 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=a8bd6bd4
sci-chemistry/votca-csg: drop x86-macos
Package-Manager: Portage-3.0.12, Repoman-3.0.2
Signed-off-by: Fabian Groffen gentoo.org>
sci-chemistry/votca-csg/votca-csg-1.4.1.ebuild | 4 ++--
sci-chemistry/votca-csg/votca-csg-1.4.ebuild | 4 ++--
sci-chemistry/votca-csg/votca-csg-1.5.1.ebuild | 4 ++--
sci-chemistry/votca-csg/votca-csg-1.5.ebuild | 4 ++--
sci-chemistry/votca-csg/votca-csg-1.6.1.ebuild | 4 ++--
sci-chemistry/votca-csg/votca-csg-1.6.2.ebuild | 4 ++--
sci-chemistry/votca-csg/votca-csg-1.6.3.ebuild | 4 ++--
sci-chemistry/votca-csg/votca-csg-1.6.ebuild | 4 ++--
sci-chemistry/votca-csg/votca-csg-1.6_rc1.ebuild | 4 ++--
sci-chemistry/votca-csg/votca-csg-.ebuild| 4 ++--
10 files changed, 20 insertions(+), 20 deletions(-)
diff --git a/sci-chemistry/votca-csg/votca-csg-1.4.1.ebuild
b/sci-chemistry/votca-csg/votca-csg-1.4.1.ebuild
index 80e7fca6242..be4888c8858 100644
--- a/sci-chemistry/votca-csg/votca-csg-1.4.1.ebuild
+++ b/sci-chemistry/votca-csg/votca-csg-1.4.1.ebuild
@@ -1,4 +1,4 @@
-# Copyright 1999-2018 Gentoo Authors
+# Copyright 1999-2021 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
EAPI=6
@@ -13,7 +13,7 @@ if [ "${PV}" != "" ]; then
SRC_URI="https://github.com/${PN/-//}/archive/v${PV}.tar.gz ->
${P}.tar.gz
doc? (
https://github.com/${PN/-//}-manual/releases/download/v${PV}/${PN}-manual-${PV}.pdf
)
examples? (
https://github.com/${PN/-//}-tutorials/archive/v${PV}.tar.gz ->
${PN}-tutorials-${PV}.tar.gz )"
- KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-macos"
+ KEYWORDS="~amd64 ~x86 ~amd64-linux"
S="${WORKDIR}/${P#votca-}"
else
inherit git-r3
diff --git a/sci-chemistry/votca-csg/votca-csg-1.4.ebuild
b/sci-chemistry/votca-csg/votca-csg-1.4.ebuild
index f84f983048d..7d5481d9451 100644
--- a/sci-chemistry/votca-csg/votca-csg-1.4.ebuild
+++ b/sci-chemistry/votca-csg/votca-csg-1.4.ebuild
@@ -1,4 +1,4 @@
-# Copyright 1999-2019 Gentoo Authors
+# Copyright 1999-2021 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
EAPI=6
@@ -13,7 +13,7 @@ if [ "${PV}" != "" ]; then
SRC_URI="https://github.com/${PN/-//}/archive/v${PV}.tar.gz ->
${P}.tar.gz
doc? (
https://github.com/${PN/-//}-manual/releases/download/v${PV}/${PN}-manual-${PV}.pdf
)
examples? (
https://github.com/${PN/-//}-tutorials/archive/v${PV}.tar.gz ->
${PN}-tutorials-${PV}.tar.gz )"
- KEYWORDS="amd64 x86 ~amd64-linux ~x86-macos"
+ KEYWORDS="amd64 x86 ~amd64-linux"
S="${WORKDIR}/${P#votca-}"
else
inherit git-r3
diff --git a/sci-chemistry/votca-csg/votca-csg-1.5.1.ebuild
b/sci-chemistry/votca-csg/votca-csg-1.5.1.ebuild
index 8f8ca82c066..170a409a854 100644
--- a/sci-chemistry/votca-csg/votca-csg-1.5.1.ebuild
+++ b/sci-chemistry/votca-csg/votca-csg-1.5.1.ebuild
@@ -1,4 +1,4 @@
-# Copyright 1999-2020 Gentoo Authors
+# Copyright 1999-2021 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
EAPI=6
@@ -13,7 +13,7 @@ if [ "${PV}" != "" ]; then
SRC_URI="https://github.com/${PN/-//}/archive/v${PV}.tar.gz ->
${P}.tar.gz
doc? (
https://github.com/${PN/-//}-manual/releases/download/v${PV}/${PN}-manual-${PV}.pdf
)
examples? (
https://github.com/${PN/-//}-tutorials/archive/v${PV}.tar.gz ->
${PN}-tutorials-${PV}.tar.gz )"
- KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-macos"
+ KEYWORDS="~amd64 ~x86 ~amd64-linux"
S="${WORKDIR}/${P#votca-}"
else
inherit git-r3
diff --git a/sci-chemistry/votca-csg/votca-csg-1.5.ebuild
b/sci-chemistry/votca-csg/votca-csg-1.5.ebuild
index 879db65b2de..546fcb99ab7 100644
--- a/sci-chemistry/votca-csg/votca-csg-1.5.ebuild
+++ b/sci-chemistry/votca-csg/votca-csg-1.5.ebuild
@@ -1,4 +1,4 @@
-# Copyright 1999-2020 Gentoo Authors
+# Copyright 1999-2021 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
EAPI=6
@@ -13,7 +13,7 @@ if [ "${PV}" != "" ]; then
SRC_URI="https://github.com/${PN/-//}/archive/v${PV}.tar.gz ->
${P}.tar.gz
doc? (
https://github.com/${PN/-//}-manual/releases/download/v${PV}/${PN}-manual-${PV}.pdf
)
examples? (
https://github.com/${PN/-//}-tutorials/archive/v${PV}.tar.gz ->
${PN}-tutorials-${PV}.tar.gz )"
- KEYWORDS="amd64 ~x86 ~amd64-linux ~x86-macos"
+ KEYWORDS="amd64 ~x86 ~amd64-linux"
S="${WORKDIR}/${P#votca-}"
else
inherit git-r3
diff --git a/sci-chemistry/votca-csg/votca-csg-1.6.1.ebuild
b/sci-chemistry/votca-csg/votca-csg-1.6.
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca-csgapps/
commit: e32717a5652330dc5209f574e86e51b8179e07d2
Author: Fabian Groffen gentoo org>
AuthorDate: Wed Jan 6 15:10:31 2021 +
Commit: Fabian Groffen gentoo org>
CommitDate: Wed Jan 6 15:10:31 2021 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=e32717a5
sci-chemistry/votca-csgapps: drop x86-macos
Package-Manager: Portage-3.0.12, Repoman-3.0.2
Signed-off-by: Fabian Groffen gentoo.org>
sci-chemistry/votca-csgapps/votca-csgapps-1.4.1.ebuild | 4 ++--
sci-chemistry/votca-csgapps/votca-csgapps-1.4.ebuild | 4 ++--
sci-chemistry/votca-csgapps/votca-csgapps-1.5.1.ebuild | 4 ++--
sci-chemistry/votca-csgapps/votca-csgapps-1.5.ebuild | 4 ++--
sci-chemistry/votca-csgapps/votca-csgapps-1.6.1.ebuild | 4 ++--
sci-chemistry/votca-csgapps/votca-csgapps-1.6.2.ebuild | 4 ++--
sci-chemistry/votca-csgapps/votca-csgapps-1.6.3.ebuild | 4 ++--
sci-chemistry/votca-csgapps/votca-csgapps-1.6.ebuild | 4 ++--
sci-chemistry/votca-csgapps/votca-csgapps-1.6_rc1.ebuild | 4 ++--
sci-chemistry/votca-csgapps/votca-csgapps-.ebuild| 4 ++--
10 files changed, 20 insertions(+), 20 deletions(-)
diff --git a/sci-chemistry/votca-csgapps/votca-csgapps-1.4.1.ebuild
b/sci-chemistry/votca-csgapps/votca-csgapps-1.4.1.ebuild
index 4112759a2d5..65ff12de560 100644
--- a/sci-chemistry/votca-csgapps/votca-csgapps-1.4.1.ebuild
+++ b/sci-chemistry/votca-csgapps/votca-csgapps-1.4.1.ebuild
@@ -1,4 +1,4 @@
-# Copyright 1999-2017 Gentoo Foundation
+# Copyright 1999-2021 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
EAPI=6
@@ -9,7 +9,7 @@ inherit cmake-utils
if [ "${PV}" != "" ]; then
SRC_URI="https://github.com/${PN/-//}/archive/v${PV}.tar.gz ->
${P}.tar.gz"
- KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-macos"
+ KEYWORDS="~amd64 ~x86 ~amd64-linux"
S="${WORKDIR}/${P#votca-}"
else
inherit git-r3
diff --git a/sci-chemistry/votca-csgapps/votca-csgapps-1.4.ebuild
b/sci-chemistry/votca-csgapps/votca-csgapps-1.4.ebuild
index 9c82b843b30..0cee1d4ab5e 100644
--- a/sci-chemistry/votca-csgapps/votca-csgapps-1.4.ebuild
+++ b/sci-chemistry/votca-csgapps/votca-csgapps-1.4.ebuild
@@ -1,4 +1,4 @@
-# Copyright 1999-2017 Gentoo Foundation
+# Copyright 1999-2021 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
EAPI=6
@@ -9,7 +9,7 @@ inherit cmake-utils
if [ "${PV}" != "" ]; then
SRC_URI="https://github.com/${PN/-//}/archive/v${PV}.tar.gz ->
${P}.tar.gz"
- KEYWORDS="amd64 x86 ~amd64-linux ~x86-macos"
+ KEYWORDS="amd64 x86 ~amd64-linux"
S="${WORKDIR}/${P#votca-}"
else
inherit git-r3
diff --git a/sci-chemistry/votca-csgapps/votca-csgapps-1.5.1.ebuild
b/sci-chemistry/votca-csgapps/votca-csgapps-1.5.1.ebuild
index a4a0669224d..36090a26aa3 100644
--- a/sci-chemistry/votca-csgapps/votca-csgapps-1.5.1.ebuild
+++ b/sci-chemistry/votca-csgapps/votca-csgapps-1.5.1.ebuild
@@ -1,4 +1,4 @@
-# Copyright 1999-2019 Gentoo Authors
+# Copyright 1999-2021 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
EAPI=6
@@ -9,7 +9,7 @@ inherit cmake-utils
if [ "${PV}" != "" ]; then
SRC_URI="https://github.com/${PN/-//}/archive/v${PV}.tar.gz ->
${P}.tar.gz"
- KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-macos"
+ KEYWORDS="~amd64 ~x86 ~amd64-linux"
S="${WORKDIR}/${P#votca-}"
else
inherit git-r3
diff --git a/sci-chemistry/votca-csgapps/votca-csgapps-1.5.ebuild
b/sci-chemistry/votca-csgapps/votca-csgapps-1.5.ebuild
index a1805e59d01..80201be3f7e 100644
--- a/sci-chemistry/votca-csgapps/votca-csgapps-1.5.ebuild
+++ b/sci-chemistry/votca-csgapps/votca-csgapps-1.5.ebuild
@@ -1,4 +1,4 @@
-# Copyright 1999-2019 Gentoo Authors
+# Copyright 1999-2021 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
EAPI=6
@@ -9,7 +9,7 @@ inherit cmake-utils
if [ "${PV}" != "" ]; then
SRC_URI="https://github.com/${PN/-//}/archive/v${PV}.tar.gz ->
${P}.tar.gz"
- KEYWORDS="amd64 ~x86 ~amd64-linux ~x86-macos"
+ KEYWORDS="amd64 ~x86 ~amd64-linux"
S="${WORKDIR}/${P#votca-}"
else
inherit git-r3
diff --git a/sci-chemistry/votca-csgapps/votca-csgapps-1.6.1.ebuild
b/sci-chemistry/votca-csgapps/votca-csgapps-1.6.1.ebuild
index cc4f98d6f30..6d137926cd4 100644
--- a/sci-chemistry/votca-csgapps/votca-csgapps-1.6.1.ebuild
+++ b/sci-chemistry/votca-csgapps/votca-csgapps-1.6.1.ebuild
@@ -1,4 +1,4 @@
-# Copyright 1999-2020 Gentoo Authors
+# Copyright 1999-2021 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
EAPI=7
@@ -9,7 +9,7 @@ inherit cmake-utils
if [ "${PV}" != "" ]; then
SRC_URI="https://github.com/${PN/-//}/archive/v${PV}.tar.gz ->
${P}.tar.gz"
- KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-macos"
+ KEYWORDS="~amd64 ~x86 ~amd64-linux"
S="${WORKDIR}/${P#votca-}"
else
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca-xtp/
commit: ee6ceb8056cd0377e5b9bcf66e2c9a29eccfd0a8
Author: Fabian Groffen gentoo org>
AuthorDate: Wed Jan 6 15:10:49 2021 +
Commit: Fabian Groffen gentoo org>
CommitDate: Wed Jan 6 15:10:49 2021 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=ee6ceb80
sci-chemistry/votca-xtp: drop x86-macos
Package-Manager: Portage-3.0.12, Repoman-3.0.2
Signed-off-by: Fabian Groffen gentoo.org>
sci-chemistry/votca-xtp/votca-xtp-1.4.1.ebuild | 4 ++--
sci-chemistry/votca-xtp/votca-xtp-1.4.ebuild | 4 ++--
sci-chemistry/votca-xtp/votca-xtp-1.5.1.ebuild | 4 ++--
sci-chemistry/votca-xtp/votca-xtp-1.5.ebuild | 4 ++--
sci-chemistry/votca-xtp/votca-xtp-1.6.1.ebuild | 4 ++--
sci-chemistry/votca-xtp/votca-xtp-1.6.2.ebuild | 4 ++--
sci-chemistry/votca-xtp/votca-xtp-1.6.3.ebuild | 4 ++--
sci-chemistry/votca-xtp/votca-xtp-1.6.ebuild | 4 ++--
sci-chemistry/votca-xtp/votca-xtp-1.6_rc1.ebuild | 4 ++--
sci-chemistry/votca-xtp/votca-xtp-.ebuild| 4 ++--
10 files changed, 20 insertions(+), 20 deletions(-)
diff --git a/sci-chemistry/votca-xtp/votca-xtp-1.4.1.ebuild
b/sci-chemistry/votca-xtp/votca-xtp-1.4.1.ebuild
index 3dd78f45eb7..55306bb3470 100644
--- a/sci-chemistry/votca-xtp/votca-xtp-1.4.1.ebuild
+++ b/sci-chemistry/votca-xtp/votca-xtp-1.4.1.ebuild
@@ -1,4 +1,4 @@
-# Copyright 1999-2018 Gentoo Foundation
+# Copyright 1999-2021 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
EAPI=6
@@ -11,7 +11,7 @@ IUSE="doc"
if [ "${PV}" != "" ]; then
SRC_URI="https://github.com/${PN/-//}/archive/v${PV}.tar.gz ->
${P}.tar.gz
doc? (
https://github.com/${PN/-//}/releases/download/v${PV}/${PN}-manual-${PV}.pdf )"
- KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-macos"
+ KEYWORDS="~amd64 ~x86 ~amd64-linux"
S="${WORKDIR}/${P#votca-}"
else
inherit git-r3
diff --git a/sci-chemistry/votca-xtp/votca-xtp-1.4.ebuild
b/sci-chemistry/votca-xtp/votca-xtp-1.4.ebuild
index 494adefd4da..8931e0f663e 100644
--- a/sci-chemistry/votca-xtp/votca-xtp-1.4.ebuild
+++ b/sci-chemistry/votca-xtp/votca-xtp-1.4.ebuild
@@ -1,4 +1,4 @@
-# Copyright 1999-2018 Gentoo Foundation
+# Copyright 1999-2021 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
EAPI=6
@@ -11,7 +11,7 @@ IUSE="doc"
if [ "${PV}" != "" ]; then
SRC_URI="https://github.com/${PN/-//}/archive/v${PV}.tar.gz ->
${P}.tar.gz
doc? (
https://github.com/${PN/-//}/releases/download/v${PV}/${PN}-manual-${PV}.pdf )"
- KEYWORDS="amd64 x86 ~amd64-linux ~x86-macos"
+ KEYWORDS="amd64 x86 ~amd64-linux"
S="${WORKDIR}/${P#votca-}"
else
inherit git-r3
diff --git a/sci-chemistry/votca-xtp/votca-xtp-1.5.1.ebuild
b/sci-chemistry/votca-xtp/votca-xtp-1.5.1.ebuild
index 3d34efdc74c..0d1043e3f97 100644
--- a/sci-chemistry/votca-xtp/votca-xtp-1.5.1.ebuild
+++ b/sci-chemistry/votca-xtp/votca-xtp-1.5.1.ebuild
@@ -1,4 +1,4 @@
-# Copyright 1999-2019 Gentoo Authors
+# Copyright 1999-2021 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
EAPI=6
@@ -11,7 +11,7 @@ IUSE="doc"
if [ "${PV}" != "" ]; then
SRC_URI="https://github.com/${PN/-//}/archive/v${PV}.tar.gz ->
${P}.tar.gz
doc? (
https://github.com/${PN/-//}/releases/download/v${PV}/${PN}-manual-${PV}.pdf )"
- KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-macos"
+ KEYWORDS="~amd64 ~x86 ~amd64-linux"
S="${WORKDIR}/${P#votca-}"
else
inherit git-r3
diff --git a/sci-chemistry/votca-xtp/votca-xtp-1.5.ebuild
b/sci-chemistry/votca-xtp/votca-xtp-1.5.ebuild
index ce2077c641d..3bbf02f0508 100644
--- a/sci-chemistry/votca-xtp/votca-xtp-1.5.ebuild
+++ b/sci-chemistry/votca-xtp/votca-xtp-1.5.ebuild
@@ -1,4 +1,4 @@
-# Copyright 1999-2019 Gentoo Authors
+# Copyright 1999-2021 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
EAPI=6
@@ -11,7 +11,7 @@ IUSE="doc"
if [ "${PV}" != "" ]; then
SRC_URI="https://github.com/${PN/-//}/archive/v${PV}.tar.gz ->
${P}.tar.gz
doc? (
https://github.com/${PN/-//}/releases/download/v${PV}/${PN}-manual-${PV}.pdf )"
- KEYWORDS="amd64 ~x86 ~amd64-linux ~x86-macos"
+ KEYWORDS="amd64 ~x86 ~amd64-linux"
S="${WORKDIR}/${P#votca-}"
else
inherit git-r3
diff --git a/sci-chemistry/votca-xtp/votca-xtp-1.6.1.ebuild
b/sci-chemistry/votca-xtp/votca-xtp-1.6.1.ebuild
index f617c9003e6..a77afb4d4bd 100644
--- a/sci-chemistry/votca-xtp/votca-xtp-1.6.1.ebuild
+++ b/sci-chemistry/votca-xtp/votca-xtp-1.6.1.ebuild
@@ -1,4 +1,4 @@
-# Copyright 1999-2020 Gentoo Authors
+# Copyright 1999-2021 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
EAPI=7
@@ -10,7 +10,7 @@ inherit bash-completion-r1 cmake-utils multilib
IUSE=""
if [ "${PV}" != "" ]; then
SRC_URI="https://github.com/${PN/-//}/archive/v${PV}.tar
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca-ctp/
commit: 0ecc7d88e937df9432c669debcd0ebb177b22f97
Author: Fabian Groffen gentoo org>
AuthorDate: Wed Jan 6 15:10:38 2021 +
Commit: Fabian Groffen gentoo org>
CommitDate: Wed Jan 6 15:10:38 2021 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=0ecc7d88
sci-chemistry/votca-ctp: drop x86-macos
Package-Manager: Portage-3.0.12, Repoman-3.0.2
Signed-off-by: Fabian Groffen gentoo.org>
sci-chemistry/votca-ctp/votca-ctp-1.5.1.ebuild | 4 ++--
sci-chemistry/votca-ctp/votca-ctp-1.5.ebuild | 4 ++--
2 files changed, 4 insertions(+), 4 deletions(-)
diff --git a/sci-chemistry/votca-ctp/votca-ctp-1.5.1.ebuild
b/sci-chemistry/votca-ctp/votca-ctp-1.5.1.ebuild
index 892997f7af3..e21caf21790 100644
--- a/sci-chemistry/votca-ctp/votca-ctp-1.5.1.ebuild
+++ b/sci-chemistry/votca-ctp/votca-ctp-1.5.1.ebuild
@@ -1,4 +1,4 @@
-# Copyright 1999-2019 Gentoo Authors
+# Copyright 1999-2021 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
EAPI=6
@@ -11,7 +11,7 @@ IUSE="doc"
if [ "${PV}" != "" ]; then
SRC_URI="https://github.com/${PN/-//}/archive/v${PV}.tar.gz ->
${P}.tar.gz
doc? (
https://github.com/${PN/-//}/releases/download/v${PV}/${PN}-manual-${PV}.pdf )"
- KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-macos"
+ KEYWORDS="~amd64 ~x86 ~amd64-linux"
S="${WORKDIR}/${P#votca-}"
else
inherit git-r3
diff --git a/sci-chemistry/votca-ctp/votca-ctp-1.5.ebuild
b/sci-chemistry/votca-ctp/votca-ctp-1.5.ebuild
index 892997f7af3..e21caf21790 100644
--- a/sci-chemistry/votca-ctp/votca-ctp-1.5.ebuild
+++ b/sci-chemistry/votca-ctp/votca-ctp-1.5.ebuild
@@ -1,4 +1,4 @@
-# Copyright 1999-2019 Gentoo Authors
+# Copyright 1999-2021 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
EAPI=6
@@ -11,7 +11,7 @@ IUSE="doc"
if [ "${PV}" != "" ]; then
SRC_URI="https://github.com/${PN/-//}/archive/v${PV}.tar.gz ->
${P}.tar.gz
doc? (
https://github.com/${PN/-//}/releases/download/v${PV}/${PN}-manual-${PV}.pdf )"
- KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-macos"
+ KEYWORDS="~amd64 ~x86 ~amd64-linux"
S="${WORKDIR}/${P#votca-}"
else
inherit git-r3
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca-xtp/
commit: e4fdd0ad2100160149ebe6fb77dfb643a65de55f
Author: Christoph Junghans gentoo org>
AuthorDate: Sun Mar 14 19:14:40 2021 +
Commit: Christoph Junghans gentoo org>
CommitDate: Sun Mar 14 19:15:03 2021 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=e4fdd0ad
sci-chemistry/votca-xtp: version bump
Package-Manager: Portage-3.0.13, Repoman-3.0.2
Signed-off-by: Christoph Junghans gentoo.org>
sci-chemistry/votca-xtp/Manifest | 1 +
sci-chemistry/votca-xtp/votca-xtp-2021.ebuild | 43 +++
2 files changed, 44 insertions(+)
diff --git a/sci-chemistry/votca-xtp/Manifest b/sci-chemistry/votca-xtp/Manifest
index c0ed4cb5aac..629203b5c08 100644
--- a/sci-chemistry/votca-xtp/Manifest
+++ b/sci-chemistry/votca-xtp/Manifest
@@ -1,2 +1,3 @@
DIST votca-xtp-1.6.4.tar.gz 1405299 BLAKE2B
9d4e9d3f87e0c6be886df77bf52f9d8c0b4010fb1d77621a51b739986f3f5d70c85637c0d7b4d6a8a06d7dfc7e70ff5491bdc833a1b9da6fe1e8a9742a82d220
SHA512
f35e9605f4ac92547c801b254de792b5c3bf40200e8636869467997412357251df08f88ad851bc76cb0ba15428f06f28dbd4f64043a7612273468c8d653e52af
DIST votca-xtp-1.6.tar.gz 1404955 BLAKE2B
1599281ea1cd6b5a93b1d91f69a793af7bb9cd2fbf70157e5d40a5bfc72f973f3d97338f92157c2c482ad041f8afda298282b1f83dda66d0bb189bdc07bb5a23
SHA512
cb99c31fe7f1af53b8ccf50cc9cc304ed5c5b5d1a165e1a72a456c0bbf5ac8bb9263c9eff829acc74be348192afbf80fd4d80a2c20d1dd5d7f909b1b50368670
+DIST votca-xtp-2021.tar.gz 2192166 BLAKE2B
bcacdfe92b8c9fbbe2fe949d7096c09928ef7ece3cc4e40adbf58f2894036588762f9905bce1a1595bea99d1dfb8bcd99f395bed2ce7b94eeaf51b1c33719558
SHA512
1444fd0a64a684fd2b1327a9c3af067ea812190fa95cab5f3bfcc7aae932cc7469d07fc219871ca594496fbfe74e277d3b6ccfbd7d5c24c162623515ee2fef0b
diff --git a/sci-chemistry/votca-xtp/votca-xtp-2021.ebuild
b/sci-chemistry/votca-xtp/votca-xtp-2021.ebuild
new file mode 100644
index 000..a1148a82dcb
--- /dev/null
+++ b/sci-chemistry/votca-xtp/votca-xtp-2021.ebuild
@@ -0,0 +1,43 @@
+# Copyright 1999-2021 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=7
+
+inherit bash-completion-r1 cmake
+
+if [[ ${PV} == * ]]; then
+ inherit git-r3
+ EGIT_REPO_URI="https://github.com/${PN/-//}.git";
+else
+ SRC_URI="https://github.com/${PN/-//}/archive/v${PV}.tar.gz ->
${P}.tar.gz"
+ KEYWORDS="~amd64 ~x86 ~amd64-linux"
+ S="${WORKDIR}/${P#votca-}"
+fi
+
+DESCRIPTION="Votca excitation and charge properties module"
+HOMEPAGE="https://www.votca.org/";
+
+LICENSE="Apache-2.0"
+SLOT="0"
+IUSE=""
+
+RDEPEND="
+ >=dev-cpp/eigen-3.3
+ ~sci-chemistry/votca-csg-${PV}
+ sci-libs/hdf5[cxx]
+ sci-libs/libxc
+ sci-libs/libint:2
+ ~sci-libs/votca-tools-${PV}
+"
+DEPEND="${RDEPEND}"
+BDEPEND="virtual/pkgconfig"
+
+DOCS=( README.rst NOTICE.rst CHANGELOG.rst )
+
+pkg_postinst() {
+ einfo
+ einfo "Please read and cite:"
+ einfo "VOTCA-XTP, J. Chem. Theo. Comp. 14, 6353 (2018)"
+ einfo "https://doi.org/10.1021/acs.jctc.8b00617";
+ einfo
+}
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca-csg/
commit: a7d86f24e46a4fca920b80b1602cf7d427a63c9d
Author: Christoph Junghans gentoo org>
AuthorDate: Sat Mar 13 15:26:03 2021 +
Commit: Christoph Junghans gentoo org>
CommitDate: Sun Mar 14 19:15:02 2021 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=a7d86f24
sci-chemistry/votca-csg: version bump
Package-Manager: Portage-3.0.13, Repoman-3.0.2
Signed-off-by: Christoph Junghans gentoo.org>
sci-chemistry/votca-csg/Manifest | 2 ++
.../votca-csg/{votca-csg-.ebuild => votca-csg-2021.ebuild}| 7 +++
sci-chemistry/votca-csg/votca-csg-.ebuild | 8 +++-
3 files changed, 8 insertions(+), 9 deletions(-)
diff --git a/sci-chemistry/votca-csg/Manifest b/sci-chemistry/votca-csg/Manifest
index cad8d248e11..af9aecd9f35 100644
--- a/sci-chemistry/votca-csg/Manifest
+++ b/sci-chemistry/votca-csg/Manifest
@@ -1,9 +1,11 @@
DIST votca-csg-1.5.1.tar.gz 708319 BLAKE2B
2ea75cf08dc3005bd08ebe85113d95743fe85bae4b7ac3c2e2d9b64be64a7103ecf30b9edf45cffa86b7588d5c57a0256aef02f4590fa6031cb63881480bd0fd
SHA512
3559452182c325d5df72918ec6e12122c8214df9733d779c123ff199597fe47fc493fd75adf1f5dbc6b55016373863378ba3cc69fb6b61bc1531c6e591d8131c
DIST votca-csg-1.6.4.tar.gz 537966 BLAKE2B
c9ccc3aa28bdc4a2a2c080104b70602d8cf4be19a71e7d0b4a1c03d11f54b645984103d1662823a9308a4e4c4baedef731de06ff314b168f89e7326c0d3c8ee9
SHA512
4cdbf6c0a593720675f48f574ff9a93d038a48037543c1e09a4559d3eb262a2d8bf83d5f5dab85b4820a541e0c57f7cca78315d5b3382763e8acd8cc0fcb65ac
DIST votca-csg-1.6.tar.gz 464175 BLAKE2B
1871c7edc4b4e848a06049a7c687e906f166312777bdbf5c65be8efe8d5032582fdca9dc7eca453b7013901f409326b0583c79731c68fa2b4e6366f021958b0b
SHA512
76cda93023d46a66ae31edcec0ece709ddc70a9be9d098721b945006c197ed3b6cbd1e643158797be518c4fe66f7b23d3e8d8735cbd9e155db3db0d79929cfbe
+DIST votca-csg-2021.tar.gz 4300573 BLAKE2B
ba589c97f22888b8a1a12c71314133c08c89e44c201bafa6e5f1d74dfe90c87dd84a5d1c2883b26402858b6aa990d37add57bdfb9db6836a7c287f0685a40a59
SHA512
8eacf4045ddc13d33e853cd35a67d03dfb63da60c3e879ea4f16e63f27a92aa13cbf4e367d9258778c9c09462443e4bb2b937c247c6246377ceeecf56bc6fc12
DIST votca-csg-manual-1.5.1.pdf 1263719 BLAKE2B
29e2ce27215787a1121e45ec1e88ce7c61ba81709a2519aa0959eede505498b9aaf4f38666bb1a4f97837c98b862e7ed02405da07294a7ec76cc80390fe72e0d
SHA512
7d9fb4c635383e1b9c9547691f8729e19f273fcafc4dab2a6b438b3ce98ea05bd31887d09bc4edc86ceb0b04d71a4371aed7aadc3ba6864f7be2ef3328ede642
DIST votca-csg-manual-1.6.4.pdf 1242124 BLAKE2B
003a255d2869c8185f9e03038f646a80b682be3daceb18757c791f5d52101379402aee20c5dcb65ef8ce651bd6f6590ad5249e835e53ce92e04eb33214017a9e
SHA512
36956acd24a21cb0a1dd26d6640b41b7473132948327c05856191b4f9531b4d1d5f98be68a9d1a847935d47633d483e87c2300634233a6e617a010c1fb563690
DIST votca-csg-manual-1.6.pdf 1248178 BLAKE2B
5213d55787041db81fe8563febbf130db6aed9233e569039b66d69cfb173131353d45bef824640ee7b0a3fed7821ede4d5a6ce6ffc14d1548499317afdc0248a
SHA512
e91d4b8397b67808c9671b9adbaad41fd9a0ede90066e220839d86f21a9bbcd4e433534faf1dfbca106d55af5a6cce0425a5bdfa3eb30ebe14469594da0129ca
DIST votca-csg-tutorials-1.5.1.tar.gz 5949467 BLAKE2B
c6de6084fbb1d2c4ac2ce75d01a1153eabc63386063de800ff2dc6b483b0568191e7f06ddcb8be46123224ccfd3a97f5fb4e7cd603c0ee99a8636d7143f6c701
SHA512
f2e709ae31d914fe12a4ce37b5019deb878b15ade14972f2a8204bec8970ba2c8946b71b94a5bfd6f7569e41173bfbc75275ea09cbee4358ad1de0e84751049c
DIST votca-csg-tutorials-1.6.4.tar.gz 5944389 BLAKE2B
66f1d4947bb28ec602250226ad2c08cc02278a90776acbcadca2df3078361435fb2353ee0fa299d0d19697d36682f20aab709d45539d5ac7e7070942601ebc3f
SHA512
7e40037f2e70c861fd7f5c63806c17ad56672a340a8795fa745414940c55f593bef32b9f6b9050400131ed9e66aa927149e9d324a1c264364d8504baf1921e28
DIST votca-csg-tutorials-1.6.tar.gz 5946764 BLAKE2B
018bd00c86c0a85baf35afd2ea4206c96dee8f948dcbf331b53e6f685b69bf2c909731b15ba3261c86cee9e1960ec5cfa7b2ee0c6dcfac110789840184ad
SHA512
36d3a66c19d230f2002170851345da7063aeef1f29841945b8a182f73922617823815dde5d7289fb0f80e771ac03780adacdf95af4814235edbf69a4772b3696
+DIST votca-csg-tutorials-2021.tar.gz 5942031 BLAKE2B
60ef492c98bf07b5169c6f1be2298b6dac76003ef9981064463de9fdae649c215d469424e253d06b63637bb3eee9383c587a98322ab987995f8b4861bb0002e1
SHA512
844706407cb91d507c6b0433e23f4b27756dd4c882f6cef79d51f2b2acae6cd0114ccd91d626d090d0f61c58a57cc3c1eda0a0d10d6f4bfa522eda7ee8de21b3
diff --git a/sci-chemistry/votca-csg/votca-csg-.ebuild
b/sci-chemistry/votca-csg/votca-csg-2021.ebuild
similarity index 93%
copy from sci-chemistry/votca-csg/votca-csg-.ebuild
copy to sci-chemistry/votca-csg/votca-csg-2021.ebuild
index 358ce54951d..0b8ffb4e34b 100644
--- a/sci-chemistry/votca-csg/votca-csg-.ebuild
+++ b/sci-chemistry/votca-csg/votca-csg-2021.ebuild
@@ -20,7 +20,7 @@ HOMEPAGE="https://www.votca.org/";
LICENSE="Apache-2.0"
SLOT="0"
-IUSE="doc examples extras +gromacs hdf5"
+IUSE="examples extras +gromacs hdf5"
RDEPEND="
app-shell
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca-csg/
commit: da75a26075f6624ca2d7fecb7c495115320b7e11
Author: Christoph Junghans gentoo org>
AuthorDate: Sun Jan 12 20:05:53 2020 +
Commit: Christoph Junghans gentoo org>
CommitDate: Sun Jan 12 20:06:15 2020 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=da75a260
sci-chemistry/votca-csg: fix deps
Closes: https://bugs.gentoo.org/705202
Package-Manager: Portage-2.3.79, Repoman-2.3.16
Signed-off-by: Christoph Junghans gentoo.org>
sci-chemistry/votca-csg/votca-csg-1.5.1.ebuild | 4 ++--
sci-chemistry/votca-csg/votca-csg-1.5.ebuild | 4 ++--
2 files changed, 4 insertions(+), 4 deletions(-)
diff --git a/sci-chemistry/votca-csg/votca-csg-1.5.1.ebuild
b/sci-chemistry/votca-csg/votca-csg-1.5.1.ebuild
index 8ae77aec9f5..8f8ca82c066 100644
--- a/sci-chemistry/votca-csg/votca-csg-1.5.1.ebuild
+++ b/sci-chemistry/votca-csg/votca-csg-1.5.1.ebuild
@@ -1,4 +1,4 @@
-# Copyright 1999-2019 Gentoo Authors
+# Copyright 1999-2020 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
EAPI=6
@@ -31,7 +31,7 @@ SLOT="0"
RDEPEND="
~sci-libs/votca-tools-${PV}
>=dev-cpp/eigen-3.3
- gromacs? ( sci-chemistry/gromacs:= )
+ gromacs? (
[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca-csgapps/
commit: 14bf87edce736ee7b61492c383b15747790d9909
Author: Christoph Junghans gentoo org>
AuthorDate: Sun Jan 12 21:22:36 2020 +
Commit: Christoph Junghans gentoo org>
CommitDate: Sun Jan 12 21:51:09 2020 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=14bf87ed
sci-chemistry/votca-csgapps: version bump
Package-Manager: Portage-2.3.79, Repoman-2.3.16
Signed-off-by: Christoph Junghans gentoo.org>
sci-chemistry/votca-csgapps/Manifest| 1 +
.../{votca-csgapps-.ebuild => votca-csgapps-1.6_rc1.ebuild} | 6 +++---
sci-chemistry/votca-csgapps/votca-csgapps-.ebuild | 6 +++---
3 files changed, 7 insertions(+), 6 deletions(-)
diff --git a/sci-chemistry/votca-csgapps/Manifest
b/sci-chemistry/votca-csgapps/Manifest
index fbe316c976d..8a5af18b1c3 100644
--- a/sci-chemistry/votca-csgapps/Manifest
+++ b/sci-chemistry/votca-csgapps/Manifest
@@ -2,3 +2,4 @@ DIST votca-csgapps-1.4.1.tar.gz 21066 BLAKE2B
8e1d25957b7c62d2182872de4d0c50c90f
DIST votca-csgapps-1.4.tar.gz 21072 BLAKE2B
30c2f6692544741bfbec09efea2f68ae48cd4716e61e40d3da12a17ad941f2947cc6a8477229b80e420e217a95adff4152a07215e2e913e71736b61ba1ac226a
SHA512
325c99606f17d7bb00e2cc3b1545f31dd4cf1fbc0d216f2da2c48e06b2011c9f99096643a6c6efd794a169de056f803f791c156afec4a73e41c58bc4ca1055f9
DIST votca-csgapps-1.5.1.tar.gz 26006 BLAKE2B
8651978c15087fc7332fe229cfc33d8c4257faf46d72f7ac5fbaaf5f31133c4df3d97cae2b18730b5700e742c27e3db39696fdfe910ed884952ba0f832220c3d
SHA512
4f83a46f16eb0a4cb9acc6c0d9523fa746dcf670107355c95fc02daa6ca91fb4f8d5e48bc920d8c13a9445390a25415f7217979903ea86f890df1d4704944c28
DIST votca-csgapps-1.5.tar.gz 25975 BLAKE2B
185e759d658c6f763da2d26770766ec8ee05017b4c6a67e13915de04fbf2ecf268f2f800c5e18ef0f38c615340b0db163e886dc98a9395a69359f94dc8773f60
SHA512
20dda9d07ef2f33c9decff2766ece8f24cf2562993b4dfb7dd637d84325b835a6ecd30d34c5cfb9c428dbf72c2b5dfe9fd49d266182704b981db151c3c4ea2e4
+DIST votca-csgapps-1.6_rc1.tar.gz 20138 BLAKE2B
9374911f761fd78f01721e8e10f3b9c14f2ba894735735e4d09f5e29eb1d1b69f4fa081699d7a93abfad2ebe55d6439edbb6db547618e6d2cfbaf7bbc8a79ca8
SHA512
153bd6e537175c9908739c60ce80830ebf57c0686f11b21fc541995cb5355d4a3f7f7ee7d1707bb85f5fc859bf260a3a167450175ffe8feb92044e8018be996b
diff --git a/sci-chemistry/votca-csgapps/votca-csgapps-.ebuild
b/sci-chemistry/votca-csgapps/votca-csgapps-1.6_rc1.ebuild
similarity index 90%
copy from sci-chemistry/votca-csgapps/votca-csgapps-.ebuild
copy to sci-chemistry/votca-csgapps/votca-csgapps-1.6_rc1.ebuild
index f229849683d..463cba8e0e3 100644
--- a/sci-chemistry/votca-csgapps/votca-csgapps-.ebuild
+++ b/sci-chemistry/votca-csgapps/votca-csgapps-1.6_rc1.ebuild
@@ -1,7 +1,7 @@
-# Copyright 1999-2018 Gentoo Foundation
+# Copyright 1999-2020 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
-EAPI=6
+EAPI=7
CMAKE_MAKEFILE_GENERATOR="ninja"
@@ -30,4 +30,4 @@ RDEPEND="
DEPEND="${RDEPEND}"
-DOCS=( README )
+DOCS=( README.md )
diff --git a/sci-chemistry/votca-csgapps/votca-csgapps-.ebuild
b/sci-chemistry/votca-csgapps/votca-csgapps-.ebuild
index f229849683d..463cba8e0e3 100644
--- a/sci-chemistry/votca-csgapps/votca-csgapps-.ebuild
+++ b/sci-chemistry/votca-csgapps/votca-csgapps-.ebuild
@@ -1,7 +1,7 @@
-# Copyright 1999-2018 Gentoo Foundation
+# Copyright 1999-2020 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
-EAPI=6
+EAPI=7
CMAKE_MAKEFILE_GENERATOR="ninja"
@@ -30,4 +30,4 @@ RDEPEND="
DEPEND="${RDEPEND}"
-DOCS=( README )
+DOCS=( README.md )
