[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/dssp/

2024-06-01 Thread Pacho Ramos 
commit: fbd3150360d6bfdc71eaa5ce19d6f5e9ccfe5033
Author: Pacho Ramos  gentoo  org>
AuthorDate: Sat Jun  1 10:52:13 2024 +
Commit: Pacho Ramos  gentoo  org>
CommitDate: Sat Jun  1 11:05:42 2024 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=fbd31503

sci-chemistry/dssp: Add missing dependency

Closes: https://bugs.gentoo.org/932159
Signed-off-by: Pacho Ramos  gentoo.org>

 sci-chemistry/dssp/dssp-4.4.7.ebuild | 4 +++-
 1 file changed, 3 insertions(+), 1 deletion(-)

diff --git a/sci-chemistry/dssp/dssp-4.4.7.ebuild 
b/sci-chemistry/dssp/dssp-4.4.7.ebuild
index cebac1ce3a1a..d5e51fe40fec 100644
--- a/sci-chemistry/dssp/dssp-4.4.7.ebuild
+++ b/sci-chemistry/dssp/dssp-4.4.7.ebuild
@@ -20,7 +20,9 @@ CDEPEND="
>=dev-libs/libmcfp-1.2.2
>=sci-libs/libcifpp-7.0.3
 "
-BDEPEND="${CDEPEND}"
+BDEPEND="${CDEPEND}
+   dev-cpp/catch:0
+"
 #  doc? (
 #  || ( app-text/pandoc-bin[pandoc-symlink] app-text/pandoc )
 #  dev-python/weasyprint

[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/dssp/

2024-05-18 Thread Pacho Ramos 
commit: 0262304a0e66328fe0b605343b0dcb05fca7f97c
Author: Pacho Ramos  gentoo  org>
AuthorDate: Sat May 18 10:03:52 2024 +
Commit: Pacho Ramos  gentoo  org>
CommitDate: Sat May 18 10:06:40 2024 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=0262304a

sci-chemistry/dssp: add 4.4.7

Closes: https://bugs.gentoo.org/924695
Signed-off-by: Pacho Ramos  gentoo.org>

 sci-chemistry/dssp/Manifest  |  1 +
 sci-chemistry/dssp/dssp-4.4.7.ebuild | 54 
 2 files changed, 55 insertions(+)

diff --git a/sci-chemistry/dssp/Manifest b/sci-chemistry/dssp/Manifest
index ab8d9af141e6..8388d09b6c61 100644
--- a/sci-chemistry/dssp/Manifest
+++ b/sci-chemistry/dssp/Manifest
@@ -3,3 +3,4 @@ DIST dssp-3.0.11.tar.gz 168085 BLAKE2B 
e1c42fd22cfb2287f10b5deae48b56a4583d4a677
 DIST dssp-4.3.1.tar.gz 226842 BLAKE2B 
86318f05b8381d94fa9c65a956f5fb607ef8072b0395d912e20697ba36836c449ddff31a4a64d0005bbfe34899f71853c0f15a911042389fc894934c08fc34c8
 SHA512 
4dc1a3f5c7ba258ebf548674c7b33c36b0e3a7d14911394eb8d2955c235f3cb1d6c50cb03f411db55a8a9d7aa93e4d03354c47f9f0126b0bdcbf40dc9391d403
 DIST dssp-4.4.1.tar.gz 161797 BLAKE2B 
d6bfb40a730f39e9d5a0988ce22a9dd377ec08a09e29f77e5afaac26d512cf87f6e289c1e4e3e63cfef7354b10fb57bf410bcc169604b1b6a6078380e4f08d26
 SHA512 
1bcf9e16efc5d3a7de11e24ed63e47d3263123af4670b8f3daa97cdf7cc33202fb4d564acac3024ed4edcce1ef8278f71f5312f27a234d2957afa6f563c88ed6
 DIST dssp-4.4.4.1.tar.gz 162809 BLAKE2B 
6c3f588a48778cf5f20b40b93736e150a4d366bf44d214b4064362c2a3bce69db415f5d12568a8523d99e2e5a47749d450ff0251dc3035628dbef9343d37e99a
 SHA512 
291810391d74da7ab65bcf4aab61fa4ae1a5518a361fa02d5c15ed0e5c94139fde65e7612a978f5326bd7d93f2ac6ea01b2b65514d6b64f4d062adf112c48deb
+DIST dssp-4.4.7.tar.gz 163831 BLAKE2B 
195c8fb183df00105098967850b01c0d6acf776f7cfa409fc536c8291e7a467da2adfb5f34d8191e33dbb29bfd254cd414c1b7b76ed3f3b854928c4dc8a5fcdd
 SHA512 
2fe2d8a494b570934c0d28804fe69b6569089ded58ec92bf3d83b25ce60a3b9486490909e187b511328f13498ca9027869e922d95a355cf0e21c2564c2db1b5a

diff --git a/sci-chemistry/dssp/dssp-4.4.7.ebuild 
b/sci-chemistry/dssp/dssp-4.4.7.ebuild
new file mode 100644
index ..4b22c93cb749
--- /dev/null
+++ b/sci-chemistry/dssp/dssp-4.4.7.ebuild
@@ -0,0 +1,54 @@
+# Copyright 1999-2024 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=8
+inherit cmake
+
+DESCRIPTION="The protein secondary structure standard"
+HOMEPAGE="https://swift.cmbi.umcn.nl/gv/dssp/ https://github.com/PDB-REDO/dssp";
+SRC_URI="https://github.com/PDB-REDO/${PN}/archive/refs/tags/v${PV}.tar.gz -> 
${P}.tar.gz"
+
+LICENSE="BSD-2"
+SLOT="0"
+KEYWORDS="~amd64 ~x86"
+# doc disabled as it only generates a PDF from the manpage for now
+# https://github.com/PDB-REDO/dssp/issues/64
+#IUSE="doc"
+
+CDEPEND="
+   dev-libs/boost:=[zlib]
+   >=dev-libs/libmcfp-1.2.2
+   >=sci-libs/libcifpp-7.0.3
+"
+BDEPEND="${CDEPEND}"
+#  doc? (
+#  || ( app-text/pandoc-bin[pandoc-symlink] app-text/pandoc )
+#  dev-python/weasyprint
+#  )
+DEPEND=""
+RDEPEND="${CDEPEND}"
+
+#src_prepare() {
+#  # wkhtmltopdf is not available on Gentoo
+#  sed -i -e \
+#  's/-t html/-t html --pdf-engine=weasyprint/' \
+#  CMakeLists.txt
+#  cmake_src_prepare
+#}
+
+src_configure() {
+   local mycmakeargs=(
+   #-DBUILD_DOCUMENTATION=$(usex doc)
+   -DBUILD_DOCUMENTATION=NO
+   )
+   cmake_src_configure
+}
+
+pkg_postinst() {
+   if has_version "<=sci-chemistry/gromacs-2022"; then
+   ewarn "DSSP > 3.0.x is not compatible with gmx do_dssp:"
+   ewarn "https://gitlab.com/gromacs/gromacs/-/issues/4129";
+   ewarn
+   ewarn "Feel free to mask newer versions if needed."
+   fi
+}

[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/dssp/

2024-05-18 Thread Pacho Ramos 
commit: 07938027cc64d6cd7a6014b13a2e78499ad17042
Author: Pacho Ramos  gentoo  org>
AuthorDate: Sat May 18 10:04:11 2024 +
Commit: Pacho Ramos  gentoo  org>
CommitDate: Sat May 18 10:06:40 2024 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=07938027

sci-chemistry/dssp: drop 4.3.1, 4.4.1

Signed-off-by: Pacho Ramos  gentoo.org>

 sci-chemistry/dssp/Manifest  |  2 --
 sci-chemistry/dssp/dssp-4.3.1.ebuild | 39 --
 sci-chemistry/dssp/dssp-4.4.1.ebuild | 54 
 3 files changed, 95 deletions(-)

diff --git a/sci-chemistry/dssp/Manifest b/sci-chemistry/dssp/Manifest
index 8388d09b6c61..34adeb159346 100644
--- a/sci-chemistry/dssp/Manifest
+++ b/sci-chemistry/dssp/Manifest
@@ -1,6 +1,4 @@
 DIST dssp-2.2.1.tgz 47141 BLAKE2B 
34d8b2db8797a8c23763766c0214337f03584c4be52c1bc820a0df0db6a5f78ac0229aafdd47a60b8fd6f4832abf0399663c53f9e898c75f08ecbe22b141c8da
 SHA512 
4a273714d6b3230daea166caa7f4117d5ccb225bea0cf1bc2eb61539b6cc8e227d0ba19047d61f0ad0d1d6bc2efdec9c193bd44341e15ef0950acb4a22498811
 DIST dssp-3.0.11.tar.gz 168085 BLAKE2B 
e1c42fd22cfb2287f10b5deae48b56a4583d4a67737a3485dcbd160d1597a15c2d5105c3794c875d8001abede1c014efb4f7f5b7c250f867bdf9ed95a0860217
 SHA512 
a0cfe44e517ff1f909ef2928b62ae2c639c6bddfd8a0fb538883f647fd2771e00da68e0fd2521aa02ba3c6d1b0c9b784b7fe142392af3a3abf6ea89f1546bd9d
-DIST dssp-4.3.1.tar.gz 226842 BLAKE2B 
86318f05b8381d94fa9c65a956f5fb607ef8072b0395d912e20697ba36836c449ddff31a4a64d0005bbfe34899f71853c0f15a911042389fc894934c08fc34c8
 SHA512 
4dc1a3f5c7ba258ebf548674c7b33c36b0e3a7d14911394eb8d2955c235f3cb1d6c50cb03f411db55a8a9d7aa93e4d03354c47f9f0126b0bdcbf40dc9391d403
-DIST dssp-4.4.1.tar.gz 161797 BLAKE2B 
d6bfb40a730f39e9d5a0988ce22a9dd377ec08a09e29f77e5afaac26d512cf87f6e289c1e4e3e63cfef7354b10fb57bf410bcc169604b1b6a6078380e4f08d26
 SHA512 
1bcf9e16efc5d3a7de11e24ed63e47d3263123af4670b8f3daa97cdf7cc33202fb4d564acac3024ed4edcce1ef8278f71f5312f27a234d2957afa6f563c88ed6
 DIST dssp-4.4.4.1.tar.gz 162809 BLAKE2B 
6c3f588a48778cf5f20b40b93736e150a4d366bf44d214b4064362c2a3bce69db415f5d12568a8523d99e2e5a47749d450ff0251dc3035628dbef9343d37e99a
 SHA512 
291810391d74da7ab65bcf4aab61fa4ae1a5518a361fa02d5c15ed0e5c94139fde65e7612a978f5326bd7d93f2ac6ea01b2b65514d6b64f4d062adf112c48deb
 DIST dssp-4.4.7.tar.gz 163831 BLAKE2B 
195c8fb183df00105098967850b01c0d6acf776f7cfa409fc536c8291e7a467da2adfb5f34d8191e33dbb29bfd254cd414c1b7b76ed3f3b854928c4dc8a5fcdd
 SHA512 
2fe2d8a494b570934c0d28804fe69b6569089ded58ec92bf3d83b25ce60a3b9486490909e187b511328f13498ca9027869e922d95a355cf0e21c2564c2db1b5a

diff --git a/sci-chemistry/dssp/dssp-4.3.1.ebuild 
b/sci-chemistry/dssp/dssp-4.3.1.ebuild
deleted file mode 100644
index daf7c4f9314d..
--- a/sci-chemistry/dssp/dssp-4.3.1.ebuild
+++ /dev/null
@@ -1,39 +0,0 @@
-# Copyright 1999-2023 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=8
-inherit cmake
-
-DESCRIPTION="The protein secondary structure standard"
-HOMEPAGE="https://swift.cmbi.umcn.nl/gv/dssp/ https://github.com/PDB-REDO/dssp";
-SRC_URI="https://github.com/PDB-REDO/${PN}/archive/refs/tags/v${PV}.tar.gz -> 
${P}.tar.gz"
-
-LICENSE="BSD-2"
-SLOT="0"
-KEYWORDS="~amd64 ~x86"
-IUSE=""
-
-BDEPEND="
-   dev-libs/boost:=[zlib]
-   >=dev-libs/libmcfp-1.2.2
-   >=sci-libs/libcifpp-5.1.0
-"
-DEPEND=""
-RDEPEND="${BDEPEND}"
-
-src_configure() {
-   # gxrio not packaged
-   local mycmakeargs=(
-   -DBUILD_WEBSERVER=OFF
-   )
-   cmake_src_configure
-}
-
-pkg_postinst() {
-   if has_version "<=sci-chemistry/gromacs-2022"; then
-   ewarn "DSSP > 3.0.x is not compatible with gmx do_dssp:"
-   ewarn "https://gitlab.com/gromacs/gromacs/-/issues/4129";
-   ewarn
-   ewarn "Feel free to mask newer versions if needed."
-   fi
-}

diff --git a/sci-chemistry/dssp/dssp-4.4.1.ebuild 
b/sci-chemistry/dssp/dssp-4.4.1.ebuild
deleted file mode 100644
index d79883c4e211..
--- a/sci-chemistry/dssp/dssp-4.4.1.ebuild
+++ /dev/null
@@ -1,54 +0,0 @@
-# Copyright 1999-2023 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=8
-inherit cmake
-
-DESCRIPTION="The protein secondary structure standard"
-HOMEPAGE="https://swift.cmbi.umcn.nl/gv/dssp/ https://github.com/PDB-REDO/dssp";
-SRC_URI="https://github.com/PDB-REDO/${PN}/archive/refs/tags/v${PV}.tar.gz -> 
${P}.tar.gz"
-
-LICENSE="BSD-2"
-SLOT="0"
-KEYWORDS="~amd64 ~x86"
-# doc disabled as it only generates a PDF from the manpage for now
-# https://github.com/PDB-REDO/dssp/issues/64
-#IUSE="doc"
-
-CDEPEND="
-   dev-libs/boost:=[zlib]
-   >=dev-libs/libmcfp-1.2.2
-   >=sci-libs/libcifpp-5.1.0
-"
-BDEPEND="${CDEPEND}"
-#  doc? (
-#  || ( app-text/pandoc-bin[pandoc-symlink] app-text/pandoc )
-#  dev-python/weasyprint
-#  )
-DEPEND=""
-RDEPEND="${CDEPEND}"
-
-#

[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/dssp/

2024-05-18 Thread Pacho Ramos 
commit: d5d7440bb66efbb4aa392e03a27cc9f9a858e819
Author: Pacho Ramos  gentoo  org>
AuthorDate: Sat May 18 10:06:13 2024 +
Commit: Pacho Ramos  gentoo  org>
CommitDate: Sat May 18 10:06:40 2024 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=d5d7440b

sci-chemistry/dssp: Fix EmptyGlobalAssignment warning

Signed-off-by: Pacho Ramos  gentoo.org>

 sci-chemistry/dssp/dssp-4.4.7.ebuild | 1 -
 1 file changed, 1 deletion(-)

diff --git a/sci-chemistry/dssp/dssp-4.4.7.ebuild 
b/sci-chemistry/dssp/dssp-4.4.7.ebuild
index 4b22c93cb749..cebac1ce3a1a 100644
--- a/sci-chemistry/dssp/dssp-4.4.7.ebuild
+++ b/sci-chemistry/dssp/dssp-4.4.7.ebuild
@@ -25,7 +25,6 @@ BDEPEND="${CDEPEND}"
 #  || ( app-text/pandoc-bin[pandoc-symlink] app-text/pandoc )
 #  dev-python/weasyprint
 #  )
-DEPEND=""
 RDEPEND="${CDEPEND}"
 
 #src_prepare() {

[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/dssp/

2023-10-26 Thread Pacho Ramos 
commit: aeaa1af9440c77657790fd8d0248f1a248fff926
Author: Pacho Ramos  gentoo  org>
AuthorDate: Thu Oct 26 14:27:38 2023 +
Commit: Pacho Ramos  gentoo  org>
CommitDate: Thu Oct 26 15:09:41 2023 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=aeaa1af9

sci-chemistry/dssp: add 4.4.4.1

Signed-off-by: Pacho Ramos  gentoo.org>

 sci-chemistry/dssp/Manifest|  1 +
 sci-chemistry/dssp/dssp-4.4.4.1.ebuild | 54 ++
 2 files changed, 55 insertions(+)

diff --git a/sci-chemistry/dssp/Manifest b/sci-chemistry/dssp/Manifest
index efda44191d90..ab8d9af141e6 100644
--- a/sci-chemistry/dssp/Manifest
+++ b/sci-chemistry/dssp/Manifest
@@ -2,3 +2,4 @@ DIST dssp-2.2.1.tgz 47141 BLAKE2B 
34d8b2db8797a8c23763766c0214337f03584c4be52c1b
 DIST dssp-3.0.11.tar.gz 168085 BLAKE2B 
e1c42fd22cfb2287f10b5deae48b56a4583d4a67737a3485dcbd160d1597a15c2d5105c3794c875d8001abede1c014efb4f7f5b7c250f867bdf9ed95a0860217
 SHA512 
a0cfe44e517ff1f909ef2928b62ae2c639c6bddfd8a0fb538883f647fd2771e00da68e0fd2521aa02ba3c6d1b0c9b784b7fe142392af3a3abf6ea89f1546bd9d
 DIST dssp-4.3.1.tar.gz 226842 BLAKE2B 
86318f05b8381d94fa9c65a956f5fb607ef8072b0395d912e20697ba36836c449ddff31a4a64d0005bbfe34899f71853c0f15a911042389fc894934c08fc34c8
 SHA512 
4dc1a3f5c7ba258ebf548674c7b33c36b0e3a7d14911394eb8d2955c235f3cb1d6c50cb03f411db55a8a9d7aa93e4d03354c47f9f0126b0bdcbf40dc9391d403
 DIST dssp-4.4.1.tar.gz 161797 BLAKE2B 
d6bfb40a730f39e9d5a0988ce22a9dd377ec08a09e29f77e5afaac26d512cf87f6e289c1e4e3e63cfef7354b10fb57bf410bcc169604b1b6a6078380e4f08d26
 SHA512 
1bcf9e16efc5d3a7de11e24ed63e47d3263123af4670b8f3daa97cdf7cc33202fb4d564acac3024ed4edcce1ef8278f71f5312f27a234d2957afa6f563c88ed6
+DIST dssp-4.4.4.1.tar.gz 162809 BLAKE2B 
6c3f588a48778cf5f20b40b93736e150a4d366bf44d214b4064362c2a3bce69db415f5d12568a8523d99e2e5a47749d450ff0251dc3035628dbef9343d37e99a
 SHA512 
291810391d74da7ab65bcf4aab61fa4ae1a5518a361fa02d5c15ed0e5c94139fde65e7612a978f5326bd7d93f2ac6ea01b2b65514d6b64f4d062adf112c48deb

diff --git a/sci-chemistry/dssp/dssp-4.4.4.1.ebuild 
b/sci-chemistry/dssp/dssp-4.4.4.1.ebuild
new file mode 100644
index ..a274099244cf
--- /dev/null
+++ b/sci-chemistry/dssp/dssp-4.4.4.1.ebuild
@@ -0,0 +1,54 @@
+# Copyright 1999-2023 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=8
+inherit cmake
+
+DESCRIPTION="The protein secondary structure standard"
+HOMEPAGE="https://swift.cmbi.umcn.nl/gv/dssp/ https://github.com/PDB-REDO/dssp";
+SRC_URI="https://github.com/PDB-REDO/${PN}/archive/refs/tags/v${PV}.tar.gz -> 
${P}.tar.gz"
+
+LICENSE="BSD-2"
+SLOT="0"
+KEYWORDS="~amd64 ~x86"
+# doc disabled as it only generates a PDF from the manpage for now
+# https://github.com/PDB-REDO/dssp/issues/64
+#IUSE="doc"
+
+CDEPEND="
+   dev-libs/boost:=[zlib]
+   >=dev-libs/libmcfp-1.2.2
+   >=sci-libs/libcifpp-5.2.0
+"
+BDEPEND="${CDEPEND}"
+#  doc? (
+#  || ( app-text/pandoc-bin[pandoc-symlink] app-text/pandoc )
+#  dev-python/weasyprint
+#  )
+DEPEND=""
+RDEPEND="${CDEPEND}"
+
+#src_prepare() {
+#  # wkhtmltopdf is not available on Gentoo
+#  sed -i -e \
+#  's/-t html/-t html --pdf-engine=weasyprint/' \
+#  CMakeLists.txt
+#  cmake_src_prepare
+#}
+
+src_configure() {
+   local mycmakeargs=(
+   #-DBUILD_DOCUMENTATION=$(usex doc)
+   -DBUILD_DOCUMENTATION=NO
+   )
+   cmake_src_configure
+}
+
+pkg_postinst() {
+   if has_version "<=sci-chemistry/gromacs-2022"; then
+   ewarn "DSSP > 3.0.x is not compatible with gmx do_dssp:"
+   ewarn "https://gitlab.com/gromacs/gromacs/-/issues/4129";
+   ewarn
+   ewarn "Feel free to mask newer versions if needed."
+   fi
+}

[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/dssp/

2023-07-21 Thread Pacho Ramos 
commit: ddf8fcf2b6c6e590991202b108173b2e9792fe3d
Author: Pacho Ramos  gentoo  org>
AuthorDate: Fri Jul 21 08:00:36 2023 +
Commit: Pacho Ramos  gentoo  org>
CommitDate: Fri Jul 21 08:01:18 2023 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=ddf8fcf2

sci-chemistry/dssp: add 4.4.1

Closes: https://bugs.gentoo.org/910585
Signed-off-by: Pacho Ramos  gentoo.org>

 sci-chemistry/dssp/Manifest  |  1 +
 sci-chemistry/dssp/dssp-4.4.1.ebuild | 54 
 2 files changed, 55 insertions(+)

diff --git a/sci-chemistry/dssp/Manifest b/sci-chemistry/dssp/Manifest
index d8219dde5151..f4b46c4fa494 100644
--- a/sci-chemistry/dssp/Manifest
+++ b/sci-chemistry/dssp/Manifest
@@ -2,3 +2,4 @@ DIST dssp-2.2.1.tgz 47141 BLAKE2B 
34d8b2db8797a8c23763766c0214337f03584c4be52c1b
 DIST dssp-3.0.11.tar.gz 168085 BLAKE2B 
e1c42fd22cfb2287f10b5deae48b56a4583d4a67737a3485dcbd160d1597a15c2d5105c3794c875d8001abede1c014efb4f7f5b7c250f867bdf9ed95a0860217
 SHA512 
a0cfe44e517ff1f909ef2928b62ae2c639c6bddfd8a0fb538883f647fd2771e00da68e0fd2521aa02ba3c6d1b0c9b784b7fe142392af3a3abf6ea89f1546bd9d
 DIST dssp-4.3.1.tar.gz 226842 BLAKE2B 
86318f05b8381d94fa9c65a956f5fb607ef8072b0395d912e20697ba36836c449ddff31a4a64d0005bbfe34899f71853c0f15a911042389fc894934c08fc34c8
 SHA512 
4dc1a3f5c7ba258ebf548674c7b33c36b0e3a7d14911394eb8d2955c235f3cb1d6c50cb03f411db55a8a9d7aa93e4d03354c47f9f0126b0bdcbf40dc9391d403
 DIST dssp-4.4.0.tar.gz 161773 BLAKE2B 
87673be73f3163ba6fa090cc7acd4f864d41922033da9d126535b84e2da4defaaa8781a8cda6e80103dc75359718cd867b9baf90c74ae3ff923e212b520998a2
 SHA512 
1b09306c05587c278fcd881e0d3c169d44d960d8578f310adbd79b054683c257d0ee00d6bdfb5b0d7cd81c224f3572c2c7538a42d964817d587632128b96daa9
+DIST dssp-4.4.1.tar.gz 161797 BLAKE2B 
d6bfb40a730f39e9d5a0988ce22a9dd377ec08a09e29f77e5afaac26d512cf87f6e289c1e4e3e63cfef7354b10fb57bf410bcc169604b1b6a6078380e4f08d26
 SHA512 
1bcf9e16efc5d3a7de11e24ed63e47d3263123af4670b8f3daa97cdf7cc33202fb4d564acac3024ed4edcce1ef8278f71f5312f27a234d2957afa6f563c88ed6

diff --git a/sci-chemistry/dssp/dssp-4.4.1.ebuild 
b/sci-chemistry/dssp/dssp-4.4.1.ebuild
new file mode 100644
index ..d79883c4e211
--- /dev/null
+++ b/sci-chemistry/dssp/dssp-4.4.1.ebuild
@@ -0,0 +1,54 @@
+# Copyright 1999-2023 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=8
+inherit cmake
+
+DESCRIPTION="The protein secondary structure standard"
+HOMEPAGE="https://swift.cmbi.umcn.nl/gv/dssp/ https://github.com/PDB-REDO/dssp";
+SRC_URI="https://github.com/PDB-REDO/${PN}/archive/refs/tags/v${PV}.tar.gz -> 
${P}.tar.gz"
+
+LICENSE="BSD-2"
+SLOT="0"
+KEYWORDS="~amd64 ~x86"
+# doc disabled as it only generates a PDF from the manpage for now
+# https://github.com/PDB-REDO/dssp/issues/64
+#IUSE="doc"
+
+CDEPEND="
+   dev-libs/boost:=[zlib]
+   >=dev-libs/libmcfp-1.2.2
+   >=sci-libs/libcifpp-5.1.0
+"
+BDEPEND="${CDEPEND}"
+#  doc? (
+#  || ( app-text/pandoc-bin[pandoc-symlink] app-text/pandoc )
+#  dev-python/weasyprint
+#  )
+DEPEND=""
+RDEPEND="${CDEPEND}"
+
+#src_prepare() {
+#  # wkhtmltopdf is not available on Gentoo
+#  sed -i -e \
+#  's/-t html/-t html --pdf-engine=weasyprint/' \
+#  CMakeLists.txt
+#  cmake_src_prepare
+#}
+
+src_configure() {
+   local mycmakeargs=(
+   #-DGENERATE_DOCUMENTATION=$(usex doc)
+   -DGENERATE_DOCUMENTATION=NO
+   )
+   cmake_src_configure
+}
+
+pkg_postinst() {
+   if has_version "<=sci-chemistry/gromacs-2022"; then
+   ewarn "DSSP > 3.0.x is not compatible with gmx do_dssp:"
+   ewarn "https://gitlab.com/gromacs/gromacs/-/issues/4129";
+   ewarn
+   ewarn "Feel free to mask newer versions if needed."
+   fi
+}

[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/dssp/

2023-07-21 Thread Pacho Ramos 
commit: 4eef8956d16195c0f9ce801271727c1c9327f2d3
Author: Pacho Ramos  gentoo  org>
AuthorDate: Fri Jul 21 08:00:51 2023 +
Commit: Pacho Ramos  gentoo  org>
CommitDate: Fri Jul 21 08:01:18 2023 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=4eef8956

sci-chemistry/dssp: drop 4.4.0

Signed-off-by: Pacho Ramos  gentoo.org>

 sci-chemistry/dssp/Manifest  |  1 -
 sci-chemistry/dssp/dssp-4.4.0.ebuild | 39 
 2 files changed, 40 deletions(-)

diff --git a/sci-chemistry/dssp/Manifest b/sci-chemistry/dssp/Manifest
index f4b46c4fa494..efda44191d90 100644
--- a/sci-chemistry/dssp/Manifest
+++ b/sci-chemistry/dssp/Manifest
@@ -1,5 +1,4 @@
 DIST dssp-2.2.1.tgz 47141 BLAKE2B 
34d8b2db8797a8c23763766c0214337f03584c4be52c1bc820a0df0db6a5f78ac0229aafdd47a60b8fd6f4832abf0399663c53f9e898c75f08ecbe22b141c8da
 SHA512 
4a273714d6b3230daea166caa7f4117d5ccb225bea0cf1bc2eb61539b6cc8e227d0ba19047d61f0ad0d1d6bc2efdec9c193bd44341e15ef0950acb4a22498811
 DIST dssp-3.0.11.tar.gz 168085 BLAKE2B 
e1c42fd22cfb2287f10b5deae48b56a4583d4a67737a3485dcbd160d1597a15c2d5105c3794c875d8001abede1c014efb4f7f5b7c250f867bdf9ed95a0860217
 SHA512 
a0cfe44e517ff1f909ef2928b62ae2c639c6bddfd8a0fb538883f647fd2771e00da68e0fd2521aa02ba3c6d1b0c9b784b7fe142392af3a3abf6ea89f1546bd9d
 DIST dssp-4.3.1.tar.gz 226842 BLAKE2B 
86318f05b8381d94fa9c65a956f5fb607ef8072b0395d912e20697ba36836c449ddff31a4a64d0005bbfe34899f71853c0f15a911042389fc894934c08fc34c8
 SHA512 
4dc1a3f5c7ba258ebf548674c7b33c36b0e3a7d14911394eb8d2955c235f3cb1d6c50cb03f411db55a8a9d7aa93e4d03354c47f9f0126b0bdcbf40dc9391d403
-DIST dssp-4.4.0.tar.gz 161773 BLAKE2B 
87673be73f3163ba6fa090cc7acd4f864d41922033da9d126535b84e2da4defaaa8781a8cda6e80103dc75359718cd867b9baf90c74ae3ff923e212b520998a2
 SHA512 
1b09306c05587c278fcd881e0d3c169d44d960d8578f310adbd79b054683c257d0ee00d6bdfb5b0d7cd81c224f3572c2c7538a42d964817d587632128b96daa9
 DIST dssp-4.4.1.tar.gz 161797 BLAKE2B 
d6bfb40a730f39e9d5a0988ce22a9dd377ec08a09e29f77e5afaac26d512cf87f6e289c1e4e3e63cfef7354b10fb57bf410bcc169604b1b6a6078380e4f08d26
 SHA512 
1bcf9e16efc5d3a7de11e24ed63e47d3263123af4670b8f3daa97cdf7cc33202fb4d564acac3024ed4edcce1ef8278f71f5312f27a234d2957afa6f563c88ed6

diff --git a/sci-chemistry/dssp/dssp-4.4.0.ebuild 
b/sci-chemistry/dssp/dssp-4.4.0.ebuild
deleted file mode 100644
index daf7c4f9314d..
--- a/sci-chemistry/dssp/dssp-4.4.0.ebuild
+++ /dev/null
@@ -1,39 +0,0 @@
-# Copyright 1999-2023 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=8
-inherit cmake
-
-DESCRIPTION="The protein secondary structure standard"
-HOMEPAGE="https://swift.cmbi.umcn.nl/gv/dssp/ https://github.com/PDB-REDO/dssp";
-SRC_URI="https://github.com/PDB-REDO/${PN}/archive/refs/tags/v${PV}.tar.gz -> 
${P}.tar.gz"
-
-LICENSE="BSD-2"
-SLOT="0"
-KEYWORDS="~amd64 ~x86"
-IUSE=""
-
-BDEPEND="
-   dev-libs/boost:=[zlib]
-   >=dev-libs/libmcfp-1.2.2
-   >=sci-libs/libcifpp-5.1.0
-"
-DEPEND=""
-RDEPEND="${BDEPEND}"
-
-src_configure() {
-   # gxrio not packaged
-   local mycmakeargs=(
-   -DBUILD_WEBSERVER=OFF
-   )
-   cmake_src_configure
-}
-
-pkg_postinst() {
-   if has_version "<=sci-chemistry/gromacs-2022"; then
-   ewarn "DSSP > 3.0.x is not compatible with gmx do_dssp:"
-   ewarn "https://gitlab.com/gromacs/gromacs/-/issues/4129";
-   ewarn
-   ewarn "Feel free to mask newer versions if needed."
-   fi
-}

[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/dssp/

2023-07-20 Thread Pacho Ramos 
commit: ec43d9dce0305722e4ed28bb568bdeb44ebc74b0
Author: Pacho Ramos  gentoo  org>
AuthorDate: Thu Jul 20 08:11:21 2023 +
Commit: Pacho Ramos  gentoo  org>
CommitDate: Thu Jul 20 08:11:59 2023 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=ec43d9dc

sci-chemistry/dssp: drop 4.2.2.1

Signed-off-by: Pacho Ramos  gentoo.org>

 sci-chemistry/dssp/Manifest|  1 -
 sci-chemistry/dssp/dssp-4.2.2.1.ebuild | 31 ---
 2 files changed, 32 deletions(-)

diff --git a/sci-chemistry/dssp/Manifest b/sci-chemistry/dssp/Manifest
index 3647716fcce1..d8219dde5151 100644
--- a/sci-chemistry/dssp/Manifest
+++ b/sci-chemistry/dssp/Manifest
@@ -1,5 +1,4 @@
 DIST dssp-2.2.1.tgz 47141 BLAKE2B 
34d8b2db8797a8c23763766c0214337f03584c4be52c1bc820a0df0db6a5f78ac0229aafdd47a60b8fd6f4832abf0399663c53f9e898c75f08ecbe22b141c8da
 SHA512 
4a273714d6b3230daea166caa7f4117d5ccb225bea0cf1bc2eb61539b6cc8e227d0ba19047d61f0ad0d1d6bc2efdec9c193bd44341e15ef0950acb4a22498811
 DIST dssp-3.0.11.tar.gz 168085 BLAKE2B 
e1c42fd22cfb2287f10b5deae48b56a4583d4a67737a3485dcbd160d1597a15c2d5105c3794c875d8001abede1c014efb4f7f5b7c250f867bdf9ed95a0860217
 SHA512 
a0cfe44e517ff1f909ef2928b62ae2c639c6bddfd8a0fb538883f647fd2771e00da68e0fd2521aa02ba3c6d1b0c9b784b7fe142392af3a3abf6ea89f1546bd9d
-DIST dssp-4.2.2.1.tar.gz 144413 BLAKE2B 
97c587bc0b4ef3d212ae81d568f817aab54f1dd2a77d170746e9b0d3f1bd63873d21fb0a7fc38c0300fc091f21241820d5d009d42a9e3e33dcc608c046185d9f
 SHA512 
6daa41aea766940bf40afaee068daef341a7f79cae79d967b8da00e7002bdb602deaed40e452a5f0cea9aa2041a5c8678dfcae2e0f595cc5a0856392162dcdff
 DIST dssp-4.3.1.tar.gz 226842 BLAKE2B 
86318f05b8381d94fa9c65a956f5fb607ef8072b0395d912e20697ba36836c449ddff31a4a64d0005bbfe34899f71853c0f15a911042389fc894934c08fc34c8
 SHA512 
4dc1a3f5c7ba258ebf548674c7b33c36b0e3a7d14911394eb8d2955c235f3cb1d6c50cb03f411db55a8a9d7aa93e4d03354c47f9f0126b0bdcbf40dc9391d403
 DIST dssp-4.4.0.tar.gz 161773 BLAKE2B 
87673be73f3163ba6fa090cc7acd4f864d41922033da9d126535b84e2da4defaaa8781a8cda6e80103dc75359718cd867b9baf90c74ae3ff923e212b520998a2
 SHA512 
1b09306c05587c278fcd881e0d3c169d44d960d8578f310adbd79b054683c257d0ee00d6bdfb5b0d7cd81c224f3572c2c7538a42d964817d587632128b96daa9

diff --git a/sci-chemistry/dssp/dssp-4.2.2.1.ebuild 
b/sci-chemistry/dssp/dssp-4.2.2.1.ebuild
deleted file mode 100644
index 32167a786c22..
--- a/sci-chemistry/dssp/dssp-4.2.2.1.ebuild
+++ /dev/null
@@ -1,31 +0,0 @@
-# Copyright 1999-2023 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=8
-inherit cmake
-
-DESCRIPTION="The protein secondary structure standard"
-HOMEPAGE="https://swift.cmbi.umcn.nl/gv/dssp/ https://github.com/PDB-REDO/dssp";
-SRC_URI="https://github.com/PDB-REDO/${PN}/archive/refs/tags/v${PV}.tar.gz -> 
${P}.tar.gz"
-
-LICENSE="BSD-2"
-SLOT="0"
-KEYWORDS="~amd64 ~x86"
-IUSE=""
-
-BDEPEND="
-   dev-libs/boost:=[zlib]
-   >=dev-libs/libmcfp-1.2.2
-   >=sci-libs/libcifpp-5.0.8
-"
-DEPEND=""
-RDEPEND="${BDEPEND}"
-
-pkg_postinst() {
-   if has_version "<=sci-chemistry/gromacs-2022"; then
-   ewarn "DSSP > 3.0.x is not compatible with gmx do_dssp:"
-   ewarn "https://gitlab.com/gromacs/gromacs/-/issues/4129";
-   ewarn
-   ewarn "Feel free to mask newer versions if needed."
-   fi
-}

[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/dssp/

2023-07-20 Thread Pacho Ramos 
commit: 4b98c9b10b181708973e6af4aaf2800fcb5f4f4b
Author: Pacho Ramos  gentoo  org>
AuthorDate: Thu Jul 20 08:11:11 2023 +
Commit: Pacho Ramos  gentoo  org>
CommitDate: Thu Jul 20 08:11:58 2023 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=4b98c9b1

sci-chemistry/dssp: add 4.4.0

Signed-off-by: Pacho Ramos  gentoo.org>

 sci-chemistry/dssp/Manifest  |  1 +
 sci-chemistry/dssp/dssp-4.4.0.ebuild | 39 
 2 files changed, 40 insertions(+)

diff --git a/sci-chemistry/dssp/Manifest b/sci-chemistry/dssp/Manifest
index 00d6647cdc54..3647716fcce1 100644
--- a/sci-chemistry/dssp/Manifest
+++ b/sci-chemistry/dssp/Manifest
@@ -2,3 +2,4 @@ DIST dssp-2.2.1.tgz 47141 BLAKE2B 
34d8b2db8797a8c23763766c0214337f03584c4be52c1b
 DIST dssp-3.0.11.tar.gz 168085 BLAKE2B 
e1c42fd22cfb2287f10b5deae48b56a4583d4a67737a3485dcbd160d1597a15c2d5105c3794c875d8001abede1c014efb4f7f5b7c250f867bdf9ed95a0860217
 SHA512 
a0cfe44e517ff1f909ef2928b62ae2c639c6bddfd8a0fb538883f647fd2771e00da68e0fd2521aa02ba3c6d1b0c9b784b7fe142392af3a3abf6ea89f1546bd9d
 DIST dssp-4.2.2.1.tar.gz 144413 BLAKE2B 
97c587bc0b4ef3d212ae81d568f817aab54f1dd2a77d170746e9b0d3f1bd63873d21fb0a7fc38c0300fc091f21241820d5d009d42a9e3e33dcc608c046185d9f
 SHA512 
6daa41aea766940bf40afaee068daef341a7f79cae79d967b8da00e7002bdb602deaed40e452a5f0cea9aa2041a5c8678dfcae2e0f595cc5a0856392162dcdff
 DIST dssp-4.3.1.tar.gz 226842 BLAKE2B 
86318f05b8381d94fa9c65a956f5fb607ef8072b0395d912e20697ba36836c449ddff31a4a64d0005bbfe34899f71853c0f15a911042389fc894934c08fc34c8
 SHA512 
4dc1a3f5c7ba258ebf548674c7b33c36b0e3a7d14911394eb8d2955c235f3cb1d6c50cb03f411db55a8a9d7aa93e4d03354c47f9f0126b0bdcbf40dc9391d403
+DIST dssp-4.4.0.tar.gz 161773 BLAKE2B 
87673be73f3163ba6fa090cc7acd4f864d41922033da9d126535b84e2da4defaaa8781a8cda6e80103dc75359718cd867b9baf90c74ae3ff923e212b520998a2
 SHA512 
1b09306c05587c278fcd881e0d3c169d44d960d8578f310adbd79b054683c257d0ee00d6bdfb5b0d7cd81c224f3572c2c7538a42d964817d587632128b96daa9

diff --git a/sci-chemistry/dssp/dssp-4.4.0.ebuild 
b/sci-chemistry/dssp/dssp-4.4.0.ebuild
new file mode 100644
index ..daf7c4f9314d
--- /dev/null
+++ b/sci-chemistry/dssp/dssp-4.4.0.ebuild
@@ -0,0 +1,39 @@
+# Copyright 1999-2023 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=8
+inherit cmake
+
+DESCRIPTION="The protein secondary structure standard"
+HOMEPAGE="https://swift.cmbi.umcn.nl/gv/dssp/ https://github.com/PDB-REDO/dssp";
+SRC_URI="https://github.com/PDB-REDO/${PN}/archive/refs/tags/v${PV}.tar.gz -> 
${P}.tar.gz"
+
+LICENSE="BSD-2"
+SLOT="0"
+KEYWORDS="~amd64 ~x86"
+IUSE=""
+
+BDEPEND="
+   dev-libs/boost:=[zlib]
+   >=dev-libs/libmcfp-1.2.2
+   >=sci-libs/libcifpp-5.1.0
+"
+DEPEND=""
+RDEPEND="${BDEPEND}"
+
+src_configure() {
+   # gxrio not packaged
+   local mycmakeargs=(
+   -DBUILD_WEBSERVER=OFF
+   )
+   cmake_src_configure
+}
+
+pkg_postinst() {
+   if has_version "<=sci-chemistry/gromacs-2022"; then
+   ewarn "DSSP > 3.0.x is not compatible with gmx do_dssp:"
+   ewarn "https://gitlab.com/gromacs/gromacs/-/issues/4129";
+   ewarn
+   ewarn "Feel free to mask newer versions if needed."
+   fi
+}

[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/dssp/

2023-06-08 Thread Pacho Ramos 
commit: 0d1b3a277ae6fe5b8167ab5e628b39ae67a35cfa
Author: Pacho Ramos  gentoo  org>
AuthorDate: Thu Jun  8 08:58:07 2023 +
Commit: Pacho Ramos  gentoo  org>
CommitDate: Thu Jun  8 09:38:56 2023 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=0d1b3a27

sci-chemistry/dssp: add 4.3.1

Signed-off-by: Pacho Ramos  gentoo.org>

 sci-chemistry/dssp/Manifest  |  1 +
 sci-chemistry/dssp/dssp-4.3.1.ebuild | 39 
 2 files changed, 40 insertions(+)

diff --git a/sci-chemistry/dssp/Manifest b/sci-chemistry/dssp/Manifest
index a0bf5ede05c2..00d6647cdc54 100644
--- a/sci-chemistry/dssp/Manifest
+++ b/sci-chemistry/dssp/Manifest
@@ -1,3 +1,4 @@
 DIST dssp-2.2.1.tgz 47141 BLAKE2B 
34d8b2db8797a8c23763766c0214337f03584c4be52c1bc820a0df0db6a5f78ac0229aafdd47a60b8fd6f4832abf0399663c53f9e898c75f08ecbe22b141c8da
 SHA512 
4a273714d6b3230daea166caa7f4117d5ccb225bea0cf1bc2eb61539b6cc8e227d0ba19047d61f0ad0d1d6bc2efdec9c193bd44341e15ef0950acb4a22498811
 DIST dssp-3.0.11.tar.gz 168085 BLAKE2B 
e1c42fd22cfb2287f10b5deae48b56a4583d4a67737a3485dcbd160d1597a15c2d5105c3794c875d8001abede1c014efb4f7f5b7c250f867bdf9ed95a0860217
 SHA512 
a0cfe44e517ff1f909ef2928b62ae2c639c6bddfd8a0fb538883f647fd2771e00da68e0fd2521aa02ba3c6d1b0c9b784b7fe142392af3a3abf6ea89f1546bd9d
 DIST dssp-4.2.2.1.tar.gz 144413 BLAKE2B 
97c587bc0b4ef3d212ae81d568f817aab54f1dd2a77d170746e9b0d3f1bd63873d21fb0a7fc38c0300fc091f21241820d5d009d42a9e3e33dcc608c046185d9f
 SHA512 
6daa41aea766940bf40afaee068daef341a7f79cae79d967b8da00e7002bdb602deaed40e452a5f0cea9aa2041a5c8678dfcae2e0f595cc5a0856392162dcdff
+DIST dssp-4.3.1.tar.gz 226842 BLAKE2B 
86318f05b8381d94fa9c65a956f5fb607ef8072b0395d912e20697ba36836c449ddff31a4a64d0005bbfe34899f71853c0f15a911042389fc894934c08fc34c8
 SHA512 
4dc1a3f5c7ba258ebf548674c7b33c36b0e3a7d14911394eb8d2955c235f3cb1d6c50cb03f411db55a8a9d7aa93e4d03354c47f9f0126b0bdcbf40dc9391d403

diff --git a/sci-chemistry/dssp/dssp-4.3.1.ebuild 
b/sci-chemistry/dssp/dssp-4.3.1.ebuild
new file mode 100644
index ..daf7c4f9314d
--- /dev/null
+++ b/sci-chemistry/dssp/dssp-4.3.1.ebuild
@@ -0,0 +1,39 @@
+# Copyright 1999-2023 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=8
+inherit cmake
+
+DESCRIPTION="The protein secondary structure standard"
+HOMEPAGE="https://swift.cmbi.umcn.nl/gv/dssp/ https://github.com/PDB-REDO/dssp";
+SRC_URI="https://github.com/PDB-REDO/${PN}/archive/refs/tags/v${PV}.tar.gz -> 
${P}.tar.gz"
+
+LICENSE="BSD-2"
+SLOT="0"
+KEYWORDS="~amd64 ~x86"
+IUSE=""
+
+BDEPEND="
+   dev-libs/boost:=[zlib]
+   >=dev-libs/libmcfp-1.2.2
+   >=sci-libs/libcifpp-5.1.0
+"
+DEPEND=""
+RDEPEND="${BDEPEND}"
+
+src_configure() {
+   # gxrio not packaged
+   local mycmakeargs=(
+   -DBUILD_WEBSERVER=OFF
+   )
+   cmake_src_configure
+}
+
+pkg_postinst() {
+   if has_version "<=sci-chemistry/gromacs-2022"; then
+   ewarn "DSSP > 3.0.x is not compatible with gmx do_dssp:"
+   ewarn "https://gitlab.com/gromacs/gromacs/-/issues/4129";
+   ewarn
+   ewarn "Feel free to mask newer versions if needed."
+   fi
+}

[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/dssp/

2023-04-18 Thread Pacho Ramos 
commit: 747348cd715af4b79af7743be6eee1f51b34186d
Author: Pacho Ramos  gentoo  org>
AuthorDate: Tue Apr 18 14:59:40 2023 +
Commit: Pacho Ramos  gentoo  org>
CommitDate: Tue Apr 18 14:59:40 2023 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=747348cd

sci-chemistry/dssp: drop 4.2.0

Signed-off-by: Pacho Ramos  gentoo.org>

 sci-chemistry/dssp/Manifest  |  1 -
 sci-chemistry/dssp/dssp-4.2.0.ebuild | 31 ---
 2 files changed, 32 deletions(-)

diff --git a/sci-chemistry/dssp/Manifest b/sci-chemistry/dssp/Manifest
index 8f5d275bf005..a0bf5ede05c2 100644
--- a/sci-chemistry/dssp/Manifest
+++ b/sci-chemistry/dssp/Manifest
@@ -1,4 +1,3 @@
 DIST dssp-2.2.1.tgz 47141 BLAKE2B 
34d8b2db8797a8c23763766c0214337f03584c4be52c1bc820a0df0db6a5f78ac0229aafdd47a60b8fd6f4832abf0399663c53f9e898c75f08ecbe22b141c8da
 SHA512 
4a273714d6b3230daea166caa7f4117d5ccb225bea0cf1bc2eb61539b6cc8e227d0ba19047d61f0ad0d1d6bc2efdec9c193bd44341e15ef0950acb4a22498811
 DIST dssp-3.0.11.tar.gz 168085 BLAKE2B 
e1c42fd22cfb2287f10b5deae48b56a4583d4a67737a3485dcbd160d1597a15c2d5105c3794c875d8001abede1c014efb4f7f5b7c250f867bdf9ed95a0860217
 SHA512 
a0cfe44e517ff1f909ef2928b62ae2c639c6bddfd8a0fb538883f647fd2771e00da68e0fd2521aa02ba3c6d1b0c9b784b7fe142392af3a3abf6ea89f1546bd9d
-DIST dssp-4.2.0.tar.gz 157104 BLAKE2B 
4caffb5f7cfe2a130e3ac6c5efa416898ee054333cd4320cf77ac36dccaa128fe816ca57b6bd287271924122de4252076628098db415c854df6f09c17ac2
 SHA512 
b86c736ea9fdf62be923f8a69bae56f7298cd01e6623c1f3eee6951e20483d24438b1318924e980b6a98b19c77cb84d4ba66260a575b63e7c536ecba0478c4a5
 DIST dssp-4.2.2.1.tar.gz 144413 BLAKE2B 
97c587bc0b4ef3d212ae81d568f817aab54f1dd2a77d170746e9b0d3f1bd63873d21fb0a7fc38c0300fc091f21241820d5d009d42a9e3e33dcc608c046185d9f
 SHA512 
6daa41aea766940bf40afaee068daef341a7f79cae79d967b8da00e7002bdb602deaed40e452a5f0cea9aa2041a5c8678dfcae2e0f595cc5a0856392162dcdff

diff --git a/sci-chemistry/dssp/dssp-4.2.0.ebuild 
b/sci-chemistry/dssp/dssp-4.2.0.ebuild
deleted file mode 100644
index 3aa043cf45af..
--- a/sci-chemistry/dssp/dssp-4.2.0.ebuild
+++ /dev/null
@@ -1,31 +0,0 @@
-# Copyright 1999-2022 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=8
-inherit cmake
-
-DESCRIPTION="The protein secondary structure standard"
-HOMEPAGE="https://swift.cmbi.umcn.nl/gv/dssp/ https://github.com/PDB-REDO/dssp";
-SRC_URI="https://github.com/PDB-REDO/${PN}/archive/refs/tags/v${PV}.tar.gz -> 
${P}.tar.gz"
-
-LICENSE="BSD-2"
-SLOT="0"
-KEYWORDS="~amd64 ~x86"
-IUSE=""
-
-BDEPEND="
-   dev-libs/boost:=[zlib]
-   >=dev-libs/libmcfp-1.2.2
-   >=sci-libs/libcifpp-5.0.4
-"
-DEPEND=""
-RDEPEND="${BDEPEND}"
-
-pkg_postinst() {
-   if has_version "<=sci-chemistry/gromacs-2022"; then
-   ewarn "DSSP > 3.0.x is not compatible with gmx do_dssp:"
-   ewarn "https://gitlab.com/gromacs/gromacs/-/issues/4129";
-   ewarn
-   ewarn "Feel free to mask newer versions if needed."
-   fi
-}

[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/dssp/

2023-02-26 Thread Pacho Ramos 
commit: 717d2f5faff75dfb343da5fc8d7bd6091a67342c
Author: Pacho Ramos  gentoo  org>
AuthorDate: Sun Feb 26 15:51:19 2023 +
Commit: Pacho Ramos  gentoo  org>
CommitDate: Sun Feb 26 15:51:33 2023 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=717d2f5f

sci-chemistry/dssp: drop 4.0.4

Signed-off-by: Pacho Ramos  gentoo.org>

 sci-chemistry/dssp/Manifest  |  1 -
 sci-chemistry/dssp/dssp-4.0.4.ebuild | 31 ---
 2 files changed, 32 deletions(-)

diff --git a/sci-chemistry/dssp/Manifest b/sci-chemistry/dssp/Manifest
index e98a71770449..8f5d275bf005 100644
--- a/sci-chemistry/dssp/Manifest
+++ b/sci-chemistry/dssp/Manifest
@@ -1,5 +1,4 @@
 DIST dssp-2.2.1.tgz 47141 BLAKE2B 
34d8b2db8797a8c23763766c0214337f03584c4be52c1bc820a0df0db6a5f78ac0229aafdd47a60b8fd6f4832abf0399663c53f9e898c75f08ecbe22b141c8da
 SHA512 
4a273714d6b3230daea166caa7f4117d5ccb225bea0cf1bc2eb61539b6cc8e227d0ba19047d61f0ad0d1d6bc2efdec9c193bd44341e15ef0950acb4a22498811
 DIST dssp-3.0.11.tar.gz 168085 BLAKE2B 
e1c42fd22cfb2287f10b5deae48b56a4583d4a67737a3485dcbd160d1597a15c2d5105c3794c875d8001abede1c014efb4f7f5b7c250f867bdf9ed95a0860217
 SHA512 
a0cfe44e517ff1f909ef2928b62ae2c639c6bddfd8a0fb538883f647fd2771e00da68e0fd2521aa02ba3c6d1b0c9b784b7fe142392af3a3abf6ea89f1546bd9d
-DIST dssp-4.0.4.tar.gz 122183 BLAKE2B 
b12702c482ad58f09d96e9c85759ebe9455961978277e25d1ee554d07a643b342acf2dbcd3c18d539f058b970c24888a43827b6bac47899ca61bf96dd0c2723b
 SHA512 
e0646bb20f10617174b0970c549fd44990750f46f7a550e4c3bc89487a8d3b7a175d53b2abb0684f9d96203a23d64ae67c6c10688fd4f5f59ff19995f9149ef8
 DIST dssp-4.2.0.tar.gz 157104 BLAKE2B 
4caffb5f7cfe2a130e3ac6c5efa416898ee054333cd4320cf77ac36dccaa128fe816ca57b6bd287271924122de4252076628098db415c854df6f09c17ac2
 SHA512 
b86c736ea9fdf62be923f8a69bae56f7298cd01e6623c1f3eee6951e20483d24438b1318924e980b6a98b19c77cb84d4ba66260a575b63e7c536ecba0478c4a5
 DIST dssp-4.2.2.1.tar.gz 144413 BLAKE2B 
97c587bc0b4ef3d212ae81d568f817aab54f1dd2a77d170746e9b0d3f1bd63873d21fb0a7fc38c0300fc091f21241820d5d009d42a9e3e33dcc608c046185d9f
 SHA512 
6daa41aea766940bf40afaee068daef341a7f79cae79d967b8da00e7002bdb602deaed40e452a5f0cea9aa2041a5c8678dfcae2e0f595cc5a0856392162dcdff

diff --git a/sci-chemistry/dssp/dssp-4.0.4.ebuild 
b/sci-chemistry/dssp/dssp-4.0.4.ebuild
deleted file mode 100644
index 756e23958f93..
--- a/sci-chemistry/dssp/dssp-4.0.4.ebuild
+++ /dev/null
@@ -1,31 +0,0 @@
-# Copyright 1999-2022 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=8
-inherit cmake
-
-DESCRIPTION="The protein secondary structure standard"
-HOMEPAGE="https://swift.cmbi.umcn.nl/gv/dssp/ https://github.com/PDB-REDO/dssp";
-
-SRC_URI="https://github.com/PDB-REDO/${PN}/archive/refs/tags/${PV}.tar.gz -> 
${P}.tar.gz"
-
-LICENSE="BSD-2"
-SLOT="0"
-KEYWORDS="~amd64 ~x86"
-IUSE=""
-
-BDEPEND="
-   dev-libs/boost:=[zlib]
-   >=sci-libs/libcifpp-2.0.0
-"
-DEPEND=""
-RDEPEND="${BDEPEND}"
-
-pkg_postinst() {
-   if has_version "<=sci-chemistry/gromacs-2022"; then
-   ewarn "DSSP > 3.0.x is not compatible with gmx do_dssp:"
-   ewarn "https://gitlab.com/gromacs/gromacs/-/issues/4129";
-   ewarn
-   ewarn "Feel free to mask newer versions if needed."
-   fi
-}

[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/dssp/

2023-02-26 Thread Pacho Ramos 
commit: 266ba3510001630233931bb9bd9dae60a233658a
Author: Pacho Ramos  gentoo  org>
AuthorDate: Sun Feb 26 15:50:20 2023 +
Commit: Pacho Ramos  gentoo  org>
CommitDate: Sun Feb 26 15:51:33 2023 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=266ba351

sci-chemistry/dssp: add 4.2.2.1

Signed-off-by: Pacho Ramos  gentoo.org>

 sci-chemistry/dssp/Manifest|  1 +
 sci-chemistry/dssp/dssp-4.2.2.1.ebuild | 31 +++
 2 files changed, 32 insertions(+)

diff --git a/sci-chemistry/dssp/Manifest b/sci-chemistry/dssp/Manifest
index adb164c9b6da..e98a71770449 100644
--- a/sci-chemistry/dssp/Manifest
+++ b/sci-chemistry/dssp/Manifest
@@ -2,3 +2,4 @@ DIST dssp-2.2.1.tgz 47141 BLAKE2B 
34d8b2db8797a8c23763766c0214337f03584c4be52c1b
 DIST dssp-3.0.11.tar.gz 168085 BLAKE2B 
e1c42fd22cfb2287f10b5deae48b56a4583d4a67737a3485dcbd160d1597a15c2d5105c3794c875d8001abede1c014efb4f7f5b7c250f867bdf9ed95a0860217
 SHA512 
a0cfe44e517ff1f909ef2928b62ae2c639c6bddfd8a0fb538883f647fd2771e00da68e0fd2521aa02ba3c6d1b0c9b784b7fe142392af3a3abf6ea89f1546bd9d
 DIST dssp-4.0.4.tar.gz 122183 BLAKE2B 
b12702c482ad58f09d96e9c85759ebe9455961978277e25d1ee554d07a643b342acf2dbcd3c18d539f058b970c24888a43827b6bac47899ca61bf96dd0c2723b
 SHA512 
e0646bb20f10617174b0970c549fd44990750f46f7a550e4c3bc89487a8d3b7a175d53b2abb0684f9d96203a23d64ae67c6c10688fd4f5f59ff19995f9149ef8
 DIST dssp-4.2.0.tar.gz 157104 BLAKE2B 
4caffb5f7cfe2a130e3ac6c5efa416898ee054333cd4320cf77ac36dccaa128fe816ca57b6bd287271924122de4252076628098db415c854df6f09c17ac2
 SHA512 
b86c736ea9fdf62be923f8a69bae56f7298cd01e6623c1f3eee6951e20483d24438b1318924e980b6a98b19c77cb84d4ba66260a575b63e7c536ecba0478c4a5
+DIST dssp-4.2.2.1.tar.gz 144413 BLAKE2B 
97c587bc0b4ef3d212ae81d568f817aab54f1dd2a77d170746e9b0d3f1bd63873d21fb0a7fc38c0300fc091f21241820d5d009d42a9e3e33dcc608c046185d9f
 SHA512 
6daa41aea766940bf40afaee068daef341a7f79cae79d967b8da00e7002bdb602deaed40e452a5f0cea9aa2041a5c8678dfcae2e0f595cc5a0856392162dcdff

diff --git a/sci-chemistry/dssp/dssp-4.2.2.1.ebuild 
b/sci-chemistry/dssp/dssp-4.2.2.1.ebuild
new file mode 100644
index ..32167a786c22
--- /dev/null
+++ b/sci-chemistry/dssp/dssp-4.2.2.1.ebuild
@@ -0,0 +1,31 @@
+# Copyright 1999-2023 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=8
+inherit cmake
+
+DESCRIPTION="The protein secondary structure standard"
+HOMEPAGE="https://swift.cmbi.umcn.nl/gv/dssp/ https://github.com/PDB-REDO/dssp";
+SRC_URI="https://github.com/PDB-REDO/${PN}/archive/refs/tags/v${PV}.tar.gz -> 
${P}.tar.gz"
+
+LICENSE="BSD-2"
+SLOT="0"
+KEYWORDS="~amd64 ~x86"
+IUSE=""
+
+BDEPEND="
+   dev-libs/boost:=[zlib]
+   >=dev-libs/libmcfp-1.2.2
+   >=sci-libs/libcifpp-5.0.8
+"
+DEPEND=""
+RDEPEND="${BDEPEND}"
+
+pkg_postinst() {
+   if has_version "<=sci-chemistry/gromacs-2022"; then
+   ewarn "DSSP > 3.0.x is not compatible with gmx do_dssp:"
+   ewarn "https://gitlab.com/gromacs/gromacs/-/issues/4129";
+   ewarn
+   ewarn "Feel free to mask newer versions if needed."
+   fi
+}

[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/dssp/

2023-01-02 Thread Andreas Sturmlechner 
commit: 666c5b76ea7ac62abc7cb2c90f0e090e6565980a
Author: Andreas Sturmlechner  gentoo  org>
AuthorDate: Sun Dec 25 22:55:50 2022 +
Commit: Andreas Sturmlechner  gentoo  org>
CommitDate: Mon Jan  2 14:03:56 2023 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=666c5b76

sci-chemistry/dssp: drop 4.0.3

Signed-off-by: Andreas Sturmlechner  gentoo.org>

 sci-chemistry/dssp/Manifest  |  1 -
 sci-chemistry/dssp/dssp-4.0.3.ebuild | 31 ---
 2 files changed, 32 deletions(-)

diff --git a/sci-chemistry/dssp/Manifest b/sci-chemistry/dssp/Manifest
index 0dd96b30e667..adb164c9b6da 100644
--- a/sci-chemistry/dssp/Manifest
+++ b/sci-chemistry/dssp/Manifest
@@ -1,5 +1,4 @@
 DIST dssp-2.2.1.tgz 47141 BLAKE2B 
34d8b2db8797a8c23763766c0214337f03584c4be52c1bc820a0df0db6a5f78ac0229aafdd47a60b8fd6f4832abf0399663c53f9e898c75f08ecbe22b141c8da
 SHA512 
4a273714d6b3230daea166caa7f4117d5ccb225bea0cf1bc2eb61539b6cc8e227d0ba19047d61f0ad0d1d6bc2efdec9c193bd44341e15ef0950acb4a22498811
 DIST dssp-3.0.11.tar.gz 168085 BLAKE2B 
e1c42fd22cfb2287f10b5deae48b56a4583d4a67737a3485dcbd160d1597a15c2d5105c3794c875d8001abede1c014efb4f7f5b7c250f867bdf9ed95a0860217
 SHA512 
a0cfe44e517ff1f909ef2928b62ae2c639c6bddfd8a0fb538883f647fd2771e00da68e0fd2521aa02ba3c6d1b0c9b784b7fe142392af3a3abf6ea89f1546bd9d
-DIST dssp-4.0.3.tar.gz 122872 BLAKE2B 
f88c330370645b4bd4e89656ad676e443a33c38d7882145bc60e329f823eb76113df6c7ae44550d10bcd22256ac16db358587cadd39efd6268dd869655d4
 SHA512 
31ca481b097c9c59f407e35eb8175638b5e4102991007090b5b4ea30db0b076f97cff45d0aa9ae01a826f7673258464b572d68714f00e210db26020cea4be094
 DIST dssp-4.0.4.tar.gz 122183 BLAKE2B 
b12702c482ad58f09d96e9c85759ebe9455961978277e25d1ee554d07a643b342acf2dbcd3c18d539f058b970c24888a43827b6bac47899ca61bf96dd0c2723b
 SHA512 
e0646bb20f10617174b0970c549fd44990750f46f7a550e4c3bc89487a8d3b7a175d53b2abb0684f9d96203a23d64ae67c6c10688fd4f5f59ff19995f9149ef8
 DIST dssp-4.2.0.tar.gz 157104 BLAKE2B 
4caffb5f7cfe2a130e3ac6c5efa416898ee054333cd4320cf77ac36dccaa128fe816ca57b6bd287271924122de4252076628098db415c854df6f09c17ac2
 SHA512 
b86c736ea9fdf62be923f8a69bae56f7298cd01e6623c1f3eee6951e20483d24438b1318924e980b6a98b19c77cb84d4ba66260a575b63e7c536ecba0478c4a5

diff --git a/sci-chemistry/dssp/dssp-4.0.3.ebuild 
b/sci-chemistry/dssp/dssp-4.0.3.ebuild
deleted file mode 100644
index ab80314db053..
--- a/sci-chemistry/dssp/dssp-4.0.3.ebuild
+++ /dev/null
@@ -1,31 +0,0 @@
-# Copyright 1999-2022 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=7
-inherit cmake
-
-DESCRIPTION="The protein secondary structure standard"
-HOMEPAGE="https://swift.cmbi.umcn.nl/gv/dssp/ https://github.com/PDB-REDO/dssp";
-
-SRC_URI="https://github.com/PDB-REDO/${PN}/archive/refs/tags/v${PV}.tar.gz -> 
${P}.tar.gz"
-
-LICENSE="BSD-2"
-SLOT="0"
-KEYWORDS="~amd64"
-IUSE=""
-
-BDEPEND="
-   dev-libs/boost:=[zlib]
-   >=sci-libs/libcifpp-2.0.0
-"
-DEPEND=""
-RDEPEND="${BDEPEND}"
-
-pkg_postinst() {
-   if has_version "<=sci-chemistry/gromacs-2022"; then
-   ewarn "DSSP > 3.0.x is not compatible with gmx do_dssp:"
-   ewarn "https://gitlab.com/gromacs/gromacs/-/issues/4129";
-   ewarn
-   ewarn "Feel free to mask newer versions if needed."
-   fi
-}

[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/dssp/

2022-12-05 Thread Arthur Zamarin 
commit: a5a5e8efdf1d275cbad80b6a23ff71e6869c0061
Author: Arthur Zamarin  gentoo  org>
AuthorDate: Mon Dec  5 20:17:30 2022 +
Commit: Arthur Zamarin  gentoo  org>
CommitDate: Mon Dec  5 20:17:30 2022 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=a5a5e8ef

sci-chemistry/dssp: Keyword 4.2.0 x86, #884313

Signed-off-by: Arthur Zamarin  gentoo.org>

 sci-chemistry/dssp/dssp-4.2.0.ebuild | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/sci-chemistry/dssp/dssp-4.2.0.ebuild 
b/sci-chemistry/dssp/dssp-4.2.0.ebuild
index 2aa19298ec94..3aa043cf45af 100644
--- a/sci-chemistry/dssp/dssp-4.2.0.ebuild
+++ b/sci-chemistry/dssp/dssp-4.2.0.ebuild
@@ -10,7 +10,7 @@ 
SRC_URI="https://github.com/PDB-REDO/${PN}/archive/refs/tags/v${PV}.tar.gz -> ${
 
 LICENSE="BSD-2"
 SLOT="0"
-KEYWORDS="~amd64"
+KEYWORDS="~amd64 ~x86"
 IUSE=""
 
 BDEPEND="

[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/dssp/

2022-12-04 Thread Pacho Ramos 
commit: 93c67589ff500a85c34af6f4f16ee0e3694b4530
Author: Pacho Ramos  gentoo  org>
AuthorDate: Sun Dec  4 14:00:22 2022 +
Commit: Pacho Ramos  gentoo  org>
CommitDate: Sun Dec  4 14:49:19 2022 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=93c67589

sci-chemistry/dssp: add 4.2.0

Signed-off-by: Pacho Ramos  gentoo.org>

 sci-chemistry/dssp/Manifest  |  1 +
 sci-chemistry/dssp/dssp-4.2.0.ebuild | 31 +++
 2 files changed, 32 insertions(+)

diff --git a/sci-chemistry/dssp/Manifest b/sci-chemistry/dssp/Manifest
index 3fd55461432a..0dd96b30e667 100644
--- a/sci-chemistry/dssp/Manifest
+++ b/sci-chemistry/dssp/Manifest
@@ -2,3 +2,4 @@ DIST dssp-2.2.1.tgz 47141 BLAKE2B 
34d8b2db8797a8c23763766c0214337f03584c4be52c1b
 DIST dssp-3.0.11.tar.gz 168085 BLAKE2B 
e1c42fd22cfb2287f10b5deae48b56a4583d4a67737a3485dcbd160d1597a15c2d5105c3794c875d8001abede1c014efb4f7f5b7c250f867bdf9ed95a0860217
 SHA512 
a0cfe44e517ff1f909ef2928b62ae2c639c6bddfd8a0fb538883f647fd2771e00da68e0fd2521aa02ba3c6d1b0c9b784b7fe142392af3a3abf6ea89f1546bd9d
 DIST dssp-4.0.3.tar.gz 122872 BLAKE2B 
f88c330370645b4bd4e89656ad676e443a33c38d7882145bc60e329f823eb76113df6c7ae44550d10bcd22256ac16db358587cadd39efd6268dd869655d4
 SHA512 
31ca481b097c9c59f407e35eb8175638b5e4102991007090b5b4ea30db0b076f97cff45d0aa9ae01a826f7673258464b572d68714f00e210db26020cea4be094
 DIST dssp-4.0.4.tar.gz 122183 BLAKE2B 
b12702c482ad58f09d96e9c85759ebe9455961978277e25d1ee554d07a643b342acf2dbcd3c18d539f058b970c24888a43827b6bac47899ca61bf96dd0c2723b
 SHA512 
e0646bb20f10617174b0970c549fd44990750f46f7a550e4c3bc89487a8d3b7a175d53b2abb0684f9d96203a23d64ae67c6c10688fd4f5f59ff19995f9149ef8
+DIST dssp-4.2.0.tar.gz 157104 BLAKE2B 
4caffb5f7cfe2a130e3ac6c5efa416898ee054333cd4320cf77ac36dccaa128fe816ca57b6bd287271924122de4252076628098db415c854df6f09c17ac2
 SHA512 
b86c736ea9fdf62be923f8a69bae56f7298cd01e6623c1f3eee6951e20483d24438b1318924e980b6a98b19c77cb84d4ba66260a575b63e7c536ecba0478c4a5

diff --git a/sci-chemistry/dssp/dssp-4.2.0.ebuild 
b/sci-chemistry/dssp/dssp-4.2.0.ebuild
new file mode 100644
index ..2aa19298ec94
--- /dev/null
+++ b/sci-chemistry/dssp/dssp-4.2.0.ebuild
@@ -0,0 +1,31 @@
+# Copyright 1999-2022 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=8
+inherit cmake
+
+DESCRIPTION="The protein secondary structure standard"
+HOMEPAGE="https://swift.cmbi.umcn.nl/gv/dssp/ https://github.com/PDB-REDO/dssp";
+SRC_URI="https://github.com/PDB-REDO/${PN}/archive/refs/tags/v${PV}.tar.gz -> 
${P}.tar.gz"
+
+LICENSE="BSD-2"
+SLOT="0"
+KEYWORDS="~amd64"
+IUSE=""
+
+BDEPEND="
+   dev-libs/boost:=[zlib]
+   >=dev-libs/libmcfp-1.2.2
+   >=sci-libs/libcifpp-5.0.4
+"
+DEPEND=""
+RDEPEND="${BDEPEND}"
+
+pkg_postinst() {
+   if has_version "<=sci-chemistry/gromacs-2022"; then
+   ewarn "DSSP > 3.0.x is not compatible with gmx do_dssp:"
+   ewarn "https://gitlab.com/gromacs/gromacs/-/issues/4129";
+   ewarn
+   ewarn "Feel free to mask newer versions if needed."
+   fi
+}

[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/dssp/

2022-12-04 Thread Pacho Ramos 
commit: aa62e6a636e2faa63ca4b428de2283f45af64d37
Author: Pacho Ramos  gentoo  org>
AuthorDate: Sun Dec  4 14:02:28 2022 +
Commit: Pacho Ramos  gentoo  org>
CommitDate: Sun Dec  4 14:49:19 2022 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=aa62e6a6

sci-chemistry/dssp: add github upstream metadata

Signed-off-by: Pacho Ramos  gentoo.org>

 sci-chemistry/dssp/metadata.xml | 3 +++
 1 file changed, 3 insertions(+)

diff --git a/sci-chemistry/dssp/metadata.xml b/sci-chemistry/dssp/metadata.xml
index 572c7daf2ccf..e3c02bf1bb6f 100644
--- a/sci-chemistry/dssp/metadata.xml
+++ b/sci-chemistry/dssp/metadata.xml
@@ -4,4 +4,7 @@

pa...@gentoo.org

+   
+   PDB-REDO/dssp
+

[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/dssp/

2022-09-04 Thread David Seifert 
commit: 2b374ca27f77790398d2e8832fd64fcca66eadef
Author: David Seifert  gentoo  org>
AuthorDate: Sun Sep  4 13:03:26 2022 +
Commit: David Seifert  gentoo  org>
CommitDate: Sun Sep  4 13:03:26 2022 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=2b374ca2

sci-chemistry/dssp: remove stale boost lower bounds

Signed-off-by: David Seifert  gentoo.org>

 sci-chemistry/dssp/dssp-4.0.3.ebuild | 2 +-
 sci-chemistry/dssp/dssp-4.0.4.ebuild | 2 +-
 2 files changed, 2 insertions(+), 2 deletions(-)

diff --git a/sci-chemistry/dssp/dssp-4.0.3.ebuild 
b/sci-chemistry/dssp/dssp-4.0.3.ebuild
index 812efe35b9e9..ab80314db053 100644
--- a/sci-chemistry/dssp/dssp-4.0.3.ebuild
+++ b/sci-chemistry/dssp/dssp-4.0.3.ebuild
@@ -15,7 +15,7 @@ KEYWORDS="~amd64"
 IUSE=""
 
 BDEPEND="
-   >=dev-libs/boost-1.70.0:=[zlib]
+   dev-libs/boost:=[zlib]
>=sci-libs/libcifpp-2.0.0
 "
 DEPEND=""

diff --git a/sci-chemistry/dssp/dssp-4.0.4.ebuild 
b/sci-chemistry/dssp/dssp-4.0.4.ebuild
index fab19ceb9f6f..756e23958f93 100644
--- a/sci-chemistry/dssp/dssp-4.0.4.ebuild
+++ b/sci-chemistry/dssp/dssp-4.0.4.ebuild
@@ -15,7 +15,7 @@ KEYWORDS="~amd64 ~x86"
 IUSE=""
 
 BDEPEND="
-   >=dev-libs/boost-1.70.0:=[zlib]
+   dev-libs/boost:=[zlib]
>=sci-libs/libcifpp-2.0.0
 "
 DEPEND=""

[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/dssp/

2022-09-04 Thread David Seifert 
commit: 47f68efe19de54b1dc1500bd183fe6a2f9dfa1aa
Author: David Seifert  gentoo  org>
AuthorDate: Sun Sep  4 12:22:29 2022 +
Commit: David Seifert  gentoo  org>
CommitDate: Sun Sep  4 12:22:29 2022 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=47f68efe

sci-chemistry/dssp: remove boost[threads(+)] usedep

Signed-off-by: David Seifert  gentoo.org>

 sci-chemistry/dssp/dssp-2.2.1-r3.ebuild | 4 ++--
 sci-chemistry/dssp/dssp-3.0.11.ebuild   | 2 +-
 sci-chemistry/dssp/dssp-4.0.3.ebuild| 4 ++--
 sci-chemistry/dssp/dssp-4.0.4.ebuild| 2 +-
 4 files changed, 6 insertions(+), 6 deletions(-)

diff --git a/sci-chemistry/dssp/dssp-2.2.1-r3.ebuild 
b/sci-chemistry/dssp/dssp-2.2.1-r3.ebuild
index 208f006e4f5b..bbb138f6dbc2 100644
--- a/sci-chemistry/dssp/dssp-2.2.1-r3.ebuild
+++ b/sci-chemistry/dssp/dssp-2.2.1-r3.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=8
@@ -14,7 +14,7 @@ SLOT="0"
 KEYWORDS="amd64 x86 ~amd64-linux ~x86-linux"
 IUSE=""
 
-RDEPEND="dev-libs/boost:=[bzip2,zlib,threads(+)]"
+RDEPEND="dev-libs/boost:=[bzip2,zlib]"
 DEPEND="${RDEPEND}"
 
 PATCHES=(

diff --git a/sci-chemistry/dssp/dssp-3.0.11.ebuild 
b/sci-chemistry/dssp/dssp-3.0.11.ebuild
index c072fd95aebc..8c0852ec98ff 100644
--- a/sci-chemistry/dssp/dssp-3.0.11.ebuild
+++ b/sci-chemistry/dssp/dssp-3.0.11.ebuild
@@ -19,7 +19,7 @@ RESTRICT="test"
 
 RDEPEND="
dev-lang/perl:=
-   dev-libs/boost:=[bzip2,zlib,threads(+)]
+   dev-libs/boost:=[bzip2,zlib]
 "
 DEPEND="${RDEPEND}"
 

diff --git a/sci-chemistry/dssp/dssp-4.0.3.ebuild 
b/sci-chemistry/dssp/dssp-4.0.3.ebuild
index 31f86f7e3cf4..812efe35b9e9 100644
--- a/sci-chemistry/dssp/dssp-4.0.3.ebuild
+++ b/sci-chemistry/dssp/dssp-4.0.3.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
@@ -15,7 +15,7 @@ KEYWORDS="~amd64"
 IUSE=""
 
 BDEPEND="
-   >=dev-libs/boost-1.70.0:=[zlib,threads(+)]
+   >=dev-libs/boost-1.70.0:=[zlib]
>=sci-libs/libcifpp-2.0.0
 "
 DEPEND=""

diff --git a/sci-chemistry/dssp/dssp-4.0.4.ebuild 
b/sci-chemistry/dssp/dssp-4.0.4.ebuild
index 5fe497f48e02..fab19ceb9f6f 100644
--- a/sci-chemistry/dssp/dssp-4.0.4.ebuild
+++ b/sci-chemistry/dssp/dssp-4.0.4.ebuild
@@ -15,7 +15,7 @@ KEYWORDS="~amd64 ~x86"
 IUSE=""
 
 BDEPEND="
-   >=dev-libs/boost-1.70.0:=[zlib,threads(+)]
+   >=dev-libs/boost-1.70.0:=[zlib]
>=sci-libs/libcifpp-2.0.0
 "
 DEPEND=""

[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/dssp/

2022-07-05 Thread Arthur Zamarin 
commit: f6f742def37526a585a364c6e9117d0ec901369c
Author: Arthur Zamarin  gentoo  org>
AuthorDate: Wed Jul  6 05:17:52 2022 +
Commit: Arthur Zamarin  gentoo  org>
CommitDate: Wed Jul  6 05:17:52 2022 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=f6f742de

sci-chemistry/dssp: Keyword 3.0.11 arm64, #856388

Signed-off-by: Arthur Zamarin  gentoo.org>

 sci-chemistry/dssp/dssp-3.0.11.ebuild | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/sci-chemistry/dssp/dssp-3.0.11.ebuild 
b/sci-chemistry/dssp/dssp-3.0.11.ebuild
index 6c96c618667b..c072fd95aebc 100644
--- a/sci-chemistry/dssp/dssp-3.0.11.ebuild
+++ b/sci-chemistry/dssp/dssp-3.0.11.ebuild
@@ -13,7 +13,7 @@ 
SRC_URI="https://github.com/cmbi/${MY_PN}/archive/refs/tags/${PV}.tar.gz -> ${P}
 
 LICENSE="Boost-1.0"
 SLOT="0"
-KEYWORDS="amd64 ~arm x86 ~amd64-linux ~x86-linux"
+KEYWORDS="amd64 ~arm ~arm64 x86 ~amd64-linux ~x86-linux"
 # It's just cppcheck (at least in 3.0.11)
 RESTRICT="test"

[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/dssp/

2022-06-01 Thread Sam James 
commit: 0acad7810d68284f4e20d2161366b3e6bf66fe7f
Author: Sam James  gentoo  org>
AuthorDate: Thu Jun  2 04:03:16 2022 +
Commit: Sam James  gentoo  org>
CommitDate: Thu Jun  2 04:03:16 2022 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=0acad781

sci-chemistry/dssp: Keyword 3.0.11 arm, #834865

Signed-off-by: Sam James  gentoo.org>

 sci-chemistry/dssp/dssp-3.0.11.ebuild | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/sci-chemistry/dssp/dssp-3.0.11.ebuild 
b/sci-chemistry/dssp/dssp-3.0.11.ebuild
index 002c7d491d18..6c96c618667b 100644
--- a/sci-chemistry/dssp/dssp-3.0.11.ebuild
+++ b/sci-chemistry/dssp/dssp-3.0.11.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=8
@@ -13,7 +13,7 @@ 
SRC_URI="https://github.com/cmbi/${MY_PN}/archive/refs/tags/${PV}.tar.gz -> ${P}
 
 LICENSE="Boost-1.0"
 SLOT="0"
-KEYWORDS="amd64 x86 ~amd64-linux ~x86-linux"
+KEYWORDS="amd64 ~arm x86 ~amd64-linux ~x86-linux"
 # It's just cppcheck (at least in 3.0.11)
 RESTRICT="test"

[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/dssp/

2022-03-17 Thread Jakov Smolić 
commit: f289b8c253aa73634be785af929cbe4d3677d88c
Author: Jakov Smolić  gentoo  org>
AuthorDate: Thu Mar 17 13:36:26 2022 +
Commit: Jakov Smolić  gentoo  org>
CommitDate: Thu Mar 17 13:36:26 2022 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=f289b8c2

sci-chemistry/dssp: Keyword 4.0.4 x86, #834864

Signed-off-by: Jakov Smolić  gentoo.org>

 sci-chemistry/dssp/dssp-4.0.4.ebuild | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/sci-chemistry/dssp/dssp-4.0.4.ebuild 
b/sci-chemistry/dssp/dssp-4.0.4.ebuild
index bc27c568c321..5fe497f48e02 100644
--- a/sci-chemistry/dssp/dssp-4.0.4.ebuild
+++ b/sci-chemistry/dssp/dssp-4.0.4.ebuild
@@ -11,7 +11,7 @@ 
SRC_URI="https://github.com/PDB-REDO/${PN}/archive/refs/tags/${PV}.tar.gz -> ${P
 
 LICENSE="BSD-2"
 SLOT="0"
-KEYWORDS="~amd64"
+KEYWORDS="~amd64 ~x86"
 IUSE=""
 
 BDEPEND="

[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/dssp/

2022-03-13 Thread Pacho Ramos 
commit: 55c361837ab6af4c0a43d9515c2e8e7f96102d89
Author: Pacho Ramos  gentoo  org>
AuthorDate: Sun Mar 13 18:32:12 2022 +
Commit: Pacho Ramos  gentoo  org>
CommitDate: Sun Mar 13 18:36:36 2022 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=55c36183

sci-chemistry/dssp: Bump to 4.0.4

Closes: https://bugs.gentoo.org/834882
Package-Manager: Portage-3.0.30, Repoman-3.0.3
Signed-off-by: Pacho Ramos  gentoo.org>

 sci-chemistry/dssp/Manifest  |  1 +
 sci-chemistry/dssp/dssp-4.0.4.ebuild | 31 +++
 2 files changed, 32 insertions(+)

diff --git a/sci-chemistry/dssp/Manifest b/sci-chemistry/dssp/Manifest
index 2eecf341c882..3fd55461432a 100644
--- a/sci-chemistry/dssp/Manifest
+++ b/sci-chemistry/dssp/Manifest
@@ -1,3 +1,4 @@
 DIST dssp-2.2.1.tgz 47141 BLAKE2B 
34d8b2db8797a8c23763766c0214337f03584c4be52c1bc820a0df0db6a5f78ac0229aafdd47a60b8fd6f4832abf0399663c53f9e898c75f08ecbe22b141c8da
 SHA512 
4a273714d6b3230daea166caa7f4117d5ccb225bea0cf1bc2eb61539b6cc8e227d0ba19047d61f0ad0d1d6bc2efdec9c193bd44341e15ef0950acb4a22498811
 DIST dssp-3.0.11.tar.gz 168085 BLAKE2B 
e1c42fd22cfb2287f10b5deae48b56a4583d4a67737a3485dcbd160d1597a15c2d5105c3794c875d8001abede1c014efb4f7f5b7c250f867bdf9ed95a0860217
 SHA512 
a0cfe44e517ff1f909ef2928b62ae2c639c6bddfd8a0fb538883f647fd2771e00da68e0fd2521aa02ba3c6d1b0c9b784b7fe142392af3a3abf6ea89f1546bd9d
 DIST dssp-4.0.3.tar.gz 122872 BLAKE2B 
f88c330370645b4bd4e89656ad676e443a33c38d7882145bc60e329f823eb76113df6c7ae44550d10bcd22256ac16db358587cadd39efd6268dd869655d4
 SHA512 
31ca481b097c9c59f407e35eb8175638b5e4102991007090b5b4ea30db0b076f97cff45d0aa9ae01a826f7673258464b572d68714f00e210db26020cea4be094
+DIST dssp-4.0.4.tar.gz 122183 BLAKE2B 
b12702c482ad58f09d96e9c85759ebe9455961978277e25d1ee554d07a643b342acf2dbcd3c18d539f058b970c24888a43827b6bac47899ca61bf96dd0c2723b
 SHA512 
e0646bb20f10617174b0970c549fd44990750f46f7a550e4c3bc89487a8d3b7a175d53b2abb0684f9d96203a23d64ae67c6c10688fd4f5f59ff19995f9149ef8

diff --git a/sci-chemistry/dssp/dssp-4.0.4.ebuild 
b/sci-chemistry/dssp/dssp-4.0.4.ebuild
new file mode 100644
index ..bc27c568c321
--- /dev/null
+++ b/sci-chemistry/dssp/dssp-4.0.4.ebuild
@@ -0,0 +1,31 @@
+# Copyright 1999-2022 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=8
+inherit cmake
+
+DESCRIPTION="The protein secondary structure standard"
+HOMEPAGE="https://swift.cmbi.umcn.nl/gv/dssp/ https://github.com/PDB-REDO/dssp";
+
+SRC_URI="https://github.com/PDB-REDO/${PN}/archive/refs/tags/${PV}.tar.gz -> 
${P}.tar.gz"
+
+LICENSE="BSD-2"
+SLOT="0"
+KEYWORDS="~amd64"
+IUSE=""
+
+BDEPEND="
+   >=dev-libs/boost-1.70.0:=[zlib,threads(+)]
+   >=sci-libs/libcifpp-2.0.0
+"
+DEPEND=""
+RDEPEND="${BDEPEND}"
+
+pkg_postinst() {
+   if has_version "<=sci-chemistry/gromacs-2022"; then
+   ewarn "DSSP > 3.0.x is not compatible with gmx do_dssp:"
+   ewarn "https://gitlab.com/gromacs/gromacs/-/issues/4129";
+   ewarn
+   ewarn "Feel free to mask newer versions if needed."
+   fi
+}

[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/dssp/

2021-11-16 Thread Jakov Smolić 
commit: f8dcbf609265a67a9511afedee734f48b2c3e52a
Author: Jakov Smolić  gentoo  org>
AuthorDate: Tue Nov 16 10:08:01 2021 +
Commit: Jakov Smolić  gentoo  org>
CommitDate: Tue Nov 16 10:08:01 2021 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=f8dcbf60

sci-chemistry/dssp: Stabilize 3.0.11 amd64, #823826

Signed-off-by: Jakov Smolić  gentoo.org>

 sci-chemistry/dssp/dssp-3.0.11.ebuild | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/sci-chemistry/dssp/dssp-3.0.11.ebuild 
b/sci-chemistry/dssp/dssp-3.0.11.ebuild
index 6df25cdeced6..002c7d491d18 100644
--- a/sci-chemistry/dssp/dssp-3.0.11.ebuild
+++ b/sci-chemistry/dssp/dssp-3.0.11.ebuild
@@ -13,7 +13,7 @@ 
SRC_URI="https://github.com/cmbi/${MY_PN}/archive/refs/tags/${PV}.tar.gz -> ${P}
 
 LICENSE="Boost-1.0"
 SLOT="0"
-KEYWORDS="~amd64 x86 ~amd64-linux ~x86-linux"
+KEYWORDS="amd64 x86 ~amd64-linux ~x86-linux"
 # It's just cppcheck (at least in 3.0.11)
 RESTRICT="test"

[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/dssp/

2021-11-15 Thread Agostino Sarubbo 
commit: 5c812d47da1f173868631dec0bad92d57cc8f474
Author: Agostino Sarubbo  gentoo  org>
AuthorDate: Tue Nov 16 07:50:36 2021 +
Commit: Agostino Sarubbo  gentoo  org>
CommitDate: Tue Nov 16 07:50:36 2021 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=5c812d47

sci-chemistry/dssp: x86 stable wrt bug #823826

Package-Manager: Portage-3.0.20, Repoman-3.0.3
RepoMan-Options: --include-arches="x86"
Signed-off-by: Agostino Sarubbo  gentoo.org>

 sci-chemistry/dssp/dssp-3.0.11.ebuild | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/sci-chemistry/dssp/dssp-3.0.11.ebuild 
b/sci-chemistry/dssp/dssp-3.0.11.ebuild
index f18a72f38a94..6df25cdeced6 100644
--- a/sci-chemistry/dssp/dssp-3.0.11.ebuild
+++ b/sci-chemistry/dssp/dssp-3.0.11.ebuild
@@ -13,7 +13,7 @@ 
SRC_URI="https://github.com/cmbi/${MY_PN}/archive/refs/tags/${PV}.tar.gz -> ${P}
 
 LICENSE="Boost-1.0"
 SLOT="0"
-KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux"
+KEYWORDS="~amd64 x86 ~amd64-linux ~x86-linux"
 # It's just cppcheck (at least in 3.0.11)
 RESTRICT="test"

[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/dssp/

2021-11-15 Thread Sam James 
commit: f2e7ecee7f1b69e02a11e242f2efbcb2df46bd33
Author: Sam James  gentoo  org>
AuthorDate: Tue Nov 16 03:12:37 2021 +
Commit: Sam James  gentoo  org>
CommitDate: Tue Nov 16 03:12:37 2021 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=f2e7ecee

sci-chemistry/dssp: don't run useless (for downstream) cppcheck test

It's not useful for us to determine if the package is working
correctly so skip it.

Closes: https://bugs.gentoo.org/823894
Signed-off-by: Sam James  gentoo.org>

 sci-chemistry/dssp/dssp-3.0.11.ebuild | 3 ++-
 1 file changed, 2 insertions(+), 1 deletion(-)

diff --git a/sci-chemistry/dssp/dssp-3.0.11.ebuild 
b/sci-chemistry/dssp/dssp-3.0.11.ebuild
index b0771e31047d..f18a72f38a94 100644
--- a/sci-chemistry/dssp/dssp-3.0.11.ebuild
+++ b/sci-chemistry/dssp/dssp-3.0.11.ebuild
@@ -14,7 +14,8 @@ 
SRC_URI="https://github.com/cmbi/${MY_PN}/archive/refs/tags/${PV}.tar.gz -> ${P}
 LICENSE="Boost-1.0"
 SLOT="0"
 KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux"
-IUSE=""
+# It's just cppcheck (at least in 3.0.11)
+RESTRICT="test"
 
 RDEPEND="
dev-lang/perl:=

[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/dssp/

2021-11-06 Thread Pacho Ramos 
commit: 73ffa274b37fea4fb561d68cbe1cb74d1294b9b8
Author: Pacho Ramos  gentoo  org>
AuthorDate: Sat Nov  6 08:07:48 2021 +
Commit: Pacho Ramos  gentoo  org>
CommitDate: Sat Nov  6 08:52:56 2021 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=73ffa274

sci-chemistry/dssp: Drop old

Package-Manager: Portage-3.0.28, Repoman-3.0.3
Signed-off-by: Pacho Ramos  gentoo.org>

 sci-chemistry/dssp/Manifest|  1 -
 sci-chemistry/dssp/dssp-2.2.1-r2.ebuild| 45 --
 sci-chemistry/dssp/dssp-4.0.1_p20210831.ebuild | 33 ---
 3 files changed, 79 deletions(-)

diff --git a/sci-chemistry/dssp/Manifest b/sci-chemistry/dssp/Manifest
index 9fd132f8a29..2eecf341c88 100644
--- a/sci-chemistry/dssp/Manifest
+++ b/sci-chemistry/dssp/Manifest
@@ -1,4 +1,3 @@
 DIST dssp-2.2.1.tgz 47141 BLAKE2B 
34d8b2db8797a8c23763766c0214337f03584c4be52c1bc820a0df0db6a5f78ac0229aafdd47a60b8fd6f4832abf0399663c53f9e898c75f08ecbe22b141c8da
 SHA512 
4a273714d6b3230daea166caa7f4117d5ccb225bea0cf1bc2eb61539b6cc8e227d0ba19047d61f0ad0d1d6bc2efdec9c193bd44341e15ef0950acb4a22498811
 DIST dssp-3.0.11.tar.gz 168085 BLAKE2B 
e1c42fd22cfb2287f10b5deae48b56a4583d4a67737a3485dcbd160d1597a15c2d5105c3794c875d8001abede1c014efb4f7f5b7c250f867bdf9ed95a0860217
 SHA512 
a0cfe44e517ff1f909ef2928b62ae2c639c6bddfd8a0fb538883f647fd2771e00da68e0fd2521aa02ba3c6d1b0c9b784b7fe142392af3a3abf6ea89f1546bd9d
-DIST dssp-4.0.1_p20210831.tar.gz 121793 BLAKE2B 
1e028b086b418772a93db350f8084d1786996ff6ea935d236b1431d8f4a07c0b33ebf374a4c4d5d4d243952f3f56e29a548ce09763863a1e0c529755fba6c211
 SHA512 
62f1ac781dd3d6f3436e6c155ae1a470d0baf6a6d9f6d6729034a7a5ef41550f76d0473c688d235279336306c9f3598377c056cddd6d00a89a826fbb04c1bfb3
 DIST dssp-4.0.3.tar.gz 122872 BLAKE2B 
f88c330370645b4bd4e89656ad676e443a33c38d7882145bc60e329f823eb76113df6c7ae44550d10bcd22256ac16db358587cadd39efd6268dd869655d4
 SHA512 
31ca481b097c9c59f407e35eb8175638b5e4102991007090b5b4ea30db0b076f97cff45d0aa9ae01a826f7673258464b572d68714f00e210db26020cea4be094

diff --git a/sci-chemistry/dssp/dssp-2.2.1-r2.ebuild 
b/sci-chemistry/dssp/dssp-2.2.1-r2.ebuild
deleted file mode 100644
index 63075d4d429..000
--- a/sci-chemistry/dssp/dssp-2.2.1-r2.ebuild
+++ /dev/null
@@ -1,45 +0,0 @@
-# Copyright 1999-2021 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=6
-
-inherit toolchain-funcs
-
-DESCRIPTION="The protein secondary structure standard"
-HOMEPAGE="http://swift.cmbi.ru.nl/gv/dssp/";
-SRC_URI="ftp://ftp.cmbi.ru.nl/pub/molbio/software/dssp-2/${P}.tgz";
-
-LICENSE="Boost-1.0"
-SLOT="0"
-KEYWORDS="amd64 x86 ~amd64-linux ~x86-linux"
-IUSE=""
-
-RDEPEND="dev-libs/boost:=[threads(+)]"
-DEPEND="${RDEPEND}"
-
-PATCHES=(
-   "${FILESDIR}"/${PN}-2.1.0-gentoo.patch
-   "${FILESDIR}"/${PN}-2.2.1-boost-1.65-tr1-removal.patch
-)
-
-src_configure() {
-   tc-export CXX
-
-   cat >> make.config <<- EOF || die
-   BOOST_LIB_SUFFIX = -mt
-   BOOST_LIB_DIR = "${EPREFIX}/usr/$(get_libdir)"
-   BOOST_INC_DIR = "${EPREFIX}/usr/include"
-   EOF
-}
-
-src_install() {
-   dobin mkdssp
-   dosym mkdssp /usr/bin/dssp
-   doman doc/mkdssp.1
-   dodoc README.txt changelog
-
-   cat >> "${T}"/30-${PN} <<- EOF || die
-   DSSP="${EPREFIX}"/usr/bin/${PN}
-   EOF
-   doenvd "${T}"/30-${PN}
-}

diff --git a/sci-chemistry/dssp/dssp-4.0.1_p20210831.ebuild 
b/sci-chemistry/dssp/dssp-4.0.1_p20210831.ebuild
deleted file mode 100644
index ca051ca5a0d..000
--- a/sci-chemistry/dssp/dssp-4.0.1_p20210831.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
-inherit cmake
-
-DESCRIPTION="The protein secondary structure standard"
-HOMEPAGE="https://swift.cmbi.umcn.nl/gv/dssp/ https://github.com/PDB-REDO/dssp";
-
-COMMIT="728cc7c6c8d95460d8db453cf7adb25a89ba15f6"
-SRC_URI="https://github.com/PDB-REDO/${PN}/archive/${COMMIT}.tar.gz -> 
${P}.tar.gz"
-S="${WORKDIR}/${PN}-${COMMIT}"
-
-LICENSE="BSD-2"
-SLOT="0"
-KEYWORDS="~amd64 ~x86"
-IUSE=""
-
-BDEPEND="
-   >=dev-libs/boost-1.70.0:=[bzip2,zlib,threads(+)]
-   >=sci-libs/libcifpp-1.1.1
-"
-DEPEND=""
-RDEPEND="${BDEPEND}"
-
-pkg_postinst() {
-   if has_version sci-chemistry/gromacs; then
-   ewarn "DSSP > 3.0.x is not compatible with gmx do_dssp:"
-   ewarn "https://gitlab.com/gromacs/gromacs/-/issues/4129";
-   ewarn
-   ewarn "Feel free to mask newer versions if needed."
-   fi
-}

[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/dssp/

2021-11-06 Thread Pacho Ramos 
commit: c2a04400a8881f2c599fe6aaf09769b3787ea541
Author: Pacho Ramos  gentoo  org>
AuthorDate: Sat Nov  6 08:07:20 2021 +
Commit: Pacho Ramos  gentoo  org>
CommitDate: Sat Nov  6 08:52:55 2021 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=c2a04400

sci-chemistry/dssp: gromacs-2022 will support dssp-4

Package-Manager: Portage-3.0.28, Repoman-3.0.3
Signed-off-by: Pacho Ramos  gentoo.org>

 sci-chemistry/dssp/dssp-4.0.3.ebuild | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/sci-chemistry/dssp/dssp-4.0.3.ebuild 
b/sci-chemistry/dssp/dssp-4.0.3.ebuild
index d9d8a5740c8..31f86f7e3cf 100644
--- a/sci-chemistry/dssp/dssp-4.0.3.ebuild
+++ b/sci-chemistry/dssp/dssp-4.0.3.ebuild
@@ -22,7 +22,7 @@ DEPEND=""
 RDEPEND="${BDEPEND}"
 
 pkg_postinst() {
-   if has_version sci-chemistry/gromacs; then
+   if has_version "<=sci-chemistry/gromacs-2022"; then
ewarn "DSSP > 3.0.x is not compatible with gmx do_dssp:"
ewarn "https://gitlab.com/gromacs/gromacs/-/issues/4129";
ewarn

[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/dssp/

2021-10-10 Thread Sam James 
commit: a17355be0a046e1dcdc5abac3ec821f88a904278
Author: Sam James  gentoo  org>
AuthorDate: Sun Oct 10 20:47:48 2021 +
Commit: Sam James  gentoo  org>
CommitDate: Sun Oct 10 20:47:48 2021 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=a17355be

sci-chemistry/dssp: Keyword 4.0.1_p20210831 x86, #811417

Signed-off-by: Sam James  gentoo.org>

 sci-chemistry/dssp/dssp-4.0.1_p20210831.ebuild | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/sci-chemistry/dssp/dssp-4.0.1_p20210831.ebuild 
b/sci-chemistry/dssp/dssp-4.0.1_p20210831.ebuild
index a5e5af9c742..ca051ca5a0d 100644
--- a/sci-chemistry/dssp/dssp-4.0.1_p20210831.ebuild
+++ b/sci-chemistry/dssp/dssp-4.0.1_p20210831.ebuild
@@ -13,7 +13,7 @@ S="${WORKDIR}/${PN}-${COMMIT}"
 
 LICENSE="BSD-2"
 SLOT="0"
-KEYWORDS="~amd64"
+KEYWORDS="~amd64 ~x86"
 IUSE=""
 
 BDEPEND="

[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/dssp/

2021-10-04 Thread Agostino Sarubbo 
commit: c6c03fc6b88d9c27f4caff82c45816392b729f75
Author: Agostino Sarubbo  gentoo  org>
AuthorDate: Tue Oct  5 06:48:23 2021 +
Commit: Agostino Sarubbo  gentoo  org>
CommitDate: Tue Oct  5 06:48:23 2021 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=c6c03fc6

sci-chemistry/dssp: x86 stable wrt bug #816123

Package-Manager: Portage-3.0.20, Repoman-3.0.3
RepoMan-Options: --include-arches="x86"
Signed-off-by: Agostino Sarubbo  gentoo.org>

 sci-chemistry/dssp/dssp-2.2.1-r3.ebuild | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/sci-chemistry/dssp/dssp-2.2.1-r3.ebuild 
b/sci-chemistry/dssp/dssp-2.2.1-r3.ebuild
index 040e7bd31ff..208f006e4f5 100644
--- a/sci-chemistry/dssp/dssp-2.2.1-r3.ebuild
+++ b/sci-chemistry/dssp/dssp-2.2.1-r3.ebuild
@@ -11,7 +11,7 @@ 
SRC_URI="ftp://ftp.cmbi.ru.nl/pub/molbio/software/dssp-2/${P}.tgz";
 
 LICENSE="Boost-1.0"
 SLOT="0"
-KEYWORDS="amd64 ~x86 ~amd64-linux ~x86-linux"
+KEYWORDS="amd64 x86 ~amd64-linux ~x86-linux"
 IUSE=""
 
 RDEPEND="dev-libs/boost:=[bzip2,zlib,threads(+)]"

[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/dssp/

2021-10-04 Thread Agostino Sarubbo 
commit: 86e20d58e48c56abd8c639be0949d5211b949114
Author: Agostino Sarubbo  gentoo  org>
AuthorDate: Mon Oct  4 11:00:11 2021 +
Commit: Agostino Sarubbo  gentoo  org>
CommitDate: Mon Oct  4 11:00:11 2021 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=86e20d58

sci-chemistry/dssp: amd64 stable wrt bug #816123

Package-Manager: Portage-3.0.20, Repoman-3.0.3
RepoMan-Options: --include-arches="amd64"
Signed-off-by: Agostino Sarubbo  gentoo.org>

 sci-chemistry/dssp/dssp-2.2.1-r3.ebuild | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/sci-chemistry/dssp/dssp-2.2.1-r3.ebuild 
b/sci-chemistry/dssp/dssp-2.2.1-r3.ebuild
index 8697005fc2c..040e7bd31ff 100644
--- a/sci-chemistry/dssp/dssp-2.2.1-r3.ebuild
+++ b/sci-chemistry/dssp/dssp-2.2.1-r3.ebuild
@@ -11,7 +11,7 @@ 
SRC_URI="ftp://ftp.cmbi.ru.nl/pub/molbio/software/dssp-2/${P}.tgz";
 
 LICENSE="Boost-1.0"
 SLOT="0"
-KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux"
+KEYWORDS="amd64 ~x86 ~amd64-linux ~x86-linux"
 IUSE=""
 
 RDEPEND="dev-libs/boost:=[bzip2,zlib,threads(+)]"

[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/dssp/

2021-10-03 Thread Pacho Ramos 
commit: 3ae2f860fb5615e5618a6c4ebc3da0a4e49f63b1
Author: Pacho Ramos  gentoo  org>
AuthorDate: Sun Oct  3 18:45:40 2021 +
Commit: Pacho Ramos  gentoo  org>
CommitDate: Sun Oct  3 18:45:40 2021 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=3ae2f860

sci-chemistry/dssp: Bump to 4.0.3

Package-Manager: Portage-3.0.24, Repoman-3.0.3
Signed-off-by: Pacho Ramos  gentoo.org>

 sci-chemistry/dssp/Manifest  |  1 +
 sci-chemistry/dssp/dssp-4.0.3.ebuild | 31 +++
 2 files changed, 32 insertions(+)

diff --git a/sci-chemistry/dssp/Manifest b/sci-chemistry/dssp/Manifest
index 95f2e93d4a4..9fd132f8a29 100644
--- a/sci-chemistry/dssp/Manifest
+++ b/sci-chemistry/dssp/Manifest
@@ -1,3 +1,4 @@
 DIST dssp-2.2.1.tgz 47141 BLAKE2B 
34d8b2db8797a8c23763766c0214337f03584c4be52c1bc820a0df0db6a5f78ac0229aafdd47a60b8fd6f4832abf0399663c53f9e898c75f08ecbe22b141c8da
 SHA512 
4a273714d6b3230daea166caa7f4117d5ccb225bea0cf1bc2eb61539b6cc8e227d0ba19047d61f0ad0d1d6bc2efdec9c193bd44341e15ef0950acb4a22498811
 DIST dssp-3.0.11.tar.gz 168085 BLAKE2B 
e1c42fd22cfb2287f10b5deae48b56a4583d4a67737a3485dcbd160d1597a15c2d5105c3794c875d8001abede1c014efb4f7f5b7c250f867bdf9ed95a0860217
 SHA512 
a0cfe44e517ff1f909ef2928b62ae2c639c6bddfd8a0fb538883f647fd2771e00da68e0fd2521aa02ba3c6d1b0c9b784b7fe142392af3a3abf6ea89f1546bd9d
 DIST dssp-4.0.1_p20210831.tar.gz 121793 BLAKE2B 
1e028b086b418772a93db350f8084d1786996ff6ea935d236b1431d8f4a07c0b33ebf374a4c4d5d4d243952f3f56e29a548ce09763863a1e0c529755fba6c211
 SHA512 
62f1ac781dd3d6f3436e6c155ae1a470d0baf6a6d9f6d6729034a7a5ef41550f76d0473c688d235279336306c9f3598377c056cddd6d00a89a826fbb04c1bfb3
+DIST dssp-4.0.3.tar.gz 122872 BLAKE2B 
f88c330370645b4bd4e89656ad676e443a33c38d7882145bc60e329f823eb76113df6c7ae44550d10bcd22256ac16db358587cadd39efd6268dd869655d4
 SHA512 
31ca481b097c9c59f407e35eb8175638b5e4102991007090b5b4ea30db0b076f97cff45d0aa9ae01a826f7673258464b572d68714f00e210db26020cea4be094

diff --git a/sci-chemistry/dssp/dssp-4.0.3.ebuild 
b/sci-chemistry/dssp/dssp-4.0.3.ebuild
new file mode 100644
index 000..d9d8a5740c8
--- /dev/null
+++ b/sci-chemistry/dssp/dssp-4.0.3.ebuild
@@ -0,0 +1,31 @@
+# Copyright 1999-2021 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=7
+inherit cmake
+
+DESCRIPTION="The protein secondary structure standard"
+HOMEPAGE="https://swift.cmbi.umcn.nl/gv/dssp/ https://github.com/PDB-REDO/dssp";
+
+SRC_URI="https://github.com/PDB-REDO/${PN}/archive/refs/tags/v${PV}.tar.gz -> 
${P}.tar.gz"
+
+LICENSE="BSD-2"
+SLOT="0"
+KEYWORDS="~amd64"
+IUSE=""
+
+BDEPEND="
+   >=dev-libs/boost-1.70.0:=[zlib,threads(+)]
+   >=sci-libs/libcifpp-2.0.0
+"
+DEPEND=""
+RDEPEND="${BDEPEND}"
+
+pkg_postinst() {
+   if has_version sci-chemistry/gromacs; then
+   ewarn "DSSP > 3.0.x is not compatible with gmx do_dssp:"
+   ewarn "https://gitlab.com/gromacs/gromacs/-/issues/4129";
+   ewarn
+   ewarn "Feel free to mask newer versions if needed."
+   fi
+}

[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/dssp/

2021-09-02 Thread Pacho Ramos 
commit: 4e4e045da2570733e3a7cf50ed1712945d44dc2f
Author: Pacho Ramos  gentoo  org>
AuthorDate: Thu Sep  2 11:59:21 2021 +
Commit: Pacho Ramos  gentoo  org>
CommitDate: Thu Sep  2 12:00:49 2021 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=4e4e045d

sci-chemistry/dssp: Bump to 3.0.11

It is the latest version that seems to work with gmx do_dssp from my tests,
also the one packaged in Fedora currently

Closes: https://bugs.gentoo.org/802417
Closes: https://bugs.gentoo.org/808669
Package-Manager: Portage-3.0.22, Repoman-3.0.3
Signed-off-by: Pacho Ramos  gentoo.org>

 sci-chemistry/dssp/Manifest   |  1 +
 sci-chemistry/dssp/dssp-3.0.11.ebuild | 42 +++
 2 files changed, 43 insertions(+)

diff --git a/sci-chemistry/dssp/Manifest b/sci-chemistry/dssp/Manifest
index 170fb6728d5..95f2e93d4a4 100644
--- a/sci-chemistry/dssp/Manifest
+++ b/sci-chemistry/dssp/Manifest
@@ -1,2 +1,3 @@
 DIST dssp-2.2.1.tgz 47141 BLAKE2B 
34d8b2db8797a8c23763766c0214337f03584c4be52c1bc820a0df0db6a5f78ac0229aafdd47a60b8fd6f4832abf0399663c53f9e898c75f08ecbe22b141c8da
 SHA512 
4a273714d6b3230daea166caa7f4117d5ccb225bea0cf1bc2eb61539b6cc8e227d0ba19047d61f0ad0d1d6bc2efdec9c193bd44341e15ef0950acb4a22498811
+DIST dssp-3.0.11.tar.gz 168085 BLAKE2B 
e1c42fd22cfb2287f10b5deae48b56a4583d4a67737a3485dcbd160d1597a15c2d5105c3794c875d8001abede1c014efb4f7f5b7c250f867bdf9ed95a0860217
 SHA512 
a0cfe44e517ff1f909ef2928b62ae2c639c6bddfd8a0fb538883f647fd2771e00da68e0fd2521aa02ba3c6d1b0c9b784b7fe142392af3a3abf6ea89f1546bd9d
 DIST dssp-4.0.1_p20210831.tar.gz 121793 BLAKE2B 
1e028b086b418772a93db350f8084d1786996ff6ea935d236b1431d8f4a07c0b33ebf374a4c4d5d4d243952f3f56e29a548ce09763863a1e0c529755fba6c211
 SHA512 
62f1ac781dd3d6f3436e6c155ae1a470d0baf6a6d9f6d6729034a7a5ef41550f76d0473c688d235279336306c9f3598377c056cddd6d00a89a826fbb04c1bfb3

diff --git a/sci-chemistry/dssp/dssp-3.0.11.ebuild 
b/sci-chemistry/dssp/dssp-3.0.11.ebuild
new file mode 100644
index 000..b0771e31047
--- /dev/null
+++ b/sci-chemistry/dssp/dssp-3.0.11.ebuild
@@ -0,0 +1,42 @@
+# Copyright 1999-2021 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=8
+inherit autotools
+
+MY_PN="hssp"
+MY_P="${MY_PN}-${PV}"
+
+DESCRIPTION="The protein secondary structure standard"
+HOMEPAGE="https://swift.cmbi.umcn.nl/gv/dssp/ https://github.com/cmbi/hssp";
+SRC_URI="https://github.com/cmbi/${MY_PN}/archive/refs/tags/${PV}.tar.gz -> 
${P}.tar.gz"
+
+LICENSE="Boost-1.0"
+SLOT="0"
+KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux"
+IUSE=""
+
+RDEPEND="
+   dev-lang/perl:=
+   dev-libs/boost:=[bzip2,zlib,threads(+)]
+"
+DEPEND="${RDEPEND}"
+
+S="${WORKDIR}/${MY_P}"
+
+src_prepare() {
+   default
+
+   # Fix version
+   sed -i -e "s/3.0.10/${PV}/" configure.ac || die
+
+   sed -i -e '/-Werror/d' Makefile.am || die
+
+   eautoreconf
+}
+
+src_install() {
+   default
+   dosym mkdssp /usr/bin/dssp
+   doenvd "${FILESDIR}"/30-${PN}
+}

[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/dssp/, sci-chemistry/dssp/files/

2021-09-02 Thread Pacho Ramos 
commit: 86a55f2707b1daa78e8d7e0666756e95ef588d47
Author: Pacho Ramos  gentoo  org>
AuthorDate: Thu Sep  2 11:48:56 2021 +
Commit: Pacho Ramos  gentoo  org>
CommitDate: Thu Sep  2 12:00:44 2021 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=86a55f27

sci-chemistry/dssp: Fix boost compat for dssp-2

dssp-2 is still needed by gromacs, try to keep it whenever possible then

Closes: https://bugs.gentoo.org/802417
Closes: https://bugs.gentoo.org/808669
Package-Manager: Portage-3.0.22, Repoman-3.0.3
Signed-off-by: Pacho Ramos  gentoo.org>

 sci-chemistry/dssp/dssp-2.2.1-r3.ebuild | 41 +
 sci-chemistry/dssp/files/30-dssp|  1 +
 2 files changed, 42 insertions(+)

diff --git a/sci-chemistry/dssp/dssp-2.2.1-r3.ebuild 
b/sci-chemistry/dssp/dssp-2.2.1-r3.ebuild
new file mode 100644
index 000..17a89bb51ff
--- /dev/null
+++ b/sci-chemistry/dssp/dssp-2.2.1-r3.ebuild
@@ -0,0 +1,41 @@
+# Copyright 1999-2021 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=8
+
+inherit toolchain-funcs
+
+DESCRIPTION="The protein secondary structure standard"
+HOMEPAGE="https://swift.cmbi.umcn.nl/gv/dssp/";
+SRC_URI="ftp://ftp.cmbi.ru.nl/pub/molbio/software/dssp-2/${P}.tgz";
+
+LICENSE="Boost-1.0"
+SLOT="0"
+KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux"
+IUSE=""
+
+RDEPEND="dev-libs/boost:=[threads(+)]"
+DEPEND="${RDEPEND}"
+
+PATCHES=(
+   "${FILESDIR}"/${PN}-2.1.0-gentoo.patch
+   "${FILESDIR}"/${PN}-2.2.1-boost-1.65-tr1-removal.patch
+)
+
+src_configure() {
+   tc-export CXX
+
+   cat >> make.config <<- EOF || die
+   BOOST_LIB_DIR = "${EPREFIX}/usr/$(get_libdir)"
+   BOOST_INC_DIR = "${EPREFIX}/usr/include"
+   EOF
+}
+
+src_install() {
+   dobin mkdssp
+   dosym mkdssp /usr/bin/dssp
+   doman doc/mkdssp.1
+   dodoc README.txt changelog
+
+   doenvd "${FILESDIR}"/30-${PN}
+}

diff --git a/sci-chemistry/dssp/files/30-dssp b/sci-chemistry/dssp/files/30-dssp
new file mode 100644
index 000..e0a5e0ce562
--- /dev/null
+++ b/sci-chemistry/dssp/files/30-dssp
@@ -0,0 +1 @@
+DSSP=/usr/bin/dssp
\ No newline at end of file

[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/dssp/

2021-09-02 Thread Pacho Ramos 
commit: 54a9ba7ce3518fd4974ddd7834584a0c3dad9980
Author: Pacho Ramos  gentoo  org>
AuthorDate: Thu Sep  2 11:50:57 2021 +
Commit: Pacho Ramos  gentoo  org>
CommitDate: Thu Sep  2 12:00:48 2021 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=54a9ba7c

sci-chemistry/dssp: Needs boost with zlib and bzip2 support

Closes: https://bugs.gentoo.org/802417
Package-Manager: Portage-3.0.22, Repoman-3.0.3
Signed-off-by: Pacho Ramos  gentoo.org>

 sci-chemistry/dssp/dssp-4.0.1_p20210831.ebuild | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/sci-chemistry/dssp/dssp-4.0.1_p20210831.ebuild 
b/sci-chemistry/dssp/dssp-4.0.1_p20210831.ebuild
index 407efe50622..a5e5af9c742 100644
--- a/sci-chemistry/dssp/dssp-4.0.1_p20210831.ebuild
+++ b/sci-chemistry/dssp/dssp-4.0.1_p20210831.ebuild
@@ -17,7 +17,7 @@ KEYWORDS="~amd64"
 IUSE=""
 
 BDEPEND="
-   >=dev-libs/boost-1.70.0:=[threads(+)]
+   >=dev-libs/boost-1.70.0:=[bzip2,zlib,threads(+)]
>=sci-libs/libcifpp-1.1.1
 "
 DEPEND=""

[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/dssp/

2021-09-02 Thread Pacho Ramos 
commit: 4d3a8d0a257c556b69fbdd61b378aafeb2a511b8
Author: Pacho Ramos  gentoo  org>
AuthorDate: Thu Sep  2 06:50:36 2021 +
Commit: Pacho Ramos  gentoo  org>
CommitDate: Thu Sep  2 12:00:37 2021 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=4d3a8d0a

sci-chemistry/dssp: Take the package

I use it a lot from gromacs

Package-Manager: Portage-3.0.22, Repoman-3.0.3
Signed-off-by: Pacho Ramos  gentoo.org>

 sci-chemistry/dssp/metadata.xml | 7 +++
 1 file changed, 3 insertions(+), 4 deletions(-)

diff --git a/sci-chemistry/dssp/metadata.xml b/sci-chemistry/dssp/metadata.xml
index 8937bad0b17..020b40648ee 100644
--- a/sci-chemistry/dssp/metadata.xml
+++ b/sci-chemistry/dssp/metadata.xml
@@ -1,8 +1,7 @@
 
 http://www.gentoo.org/dtd/metadata.dtd";>
 
-  
-sci-chemis...@gentoo.org
-Gentoo Chemistry Project
-  
+   
+   pa...@gentoo.org
+

[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/dssp/

2021-09-02 Thread Pacho Ramos 
commit: 8af47ad6d84726f323c295c3494ab36292a05bf0
Author: Pacho Ramos  gentoo  org>
AuthorDate: Thu Sep  2 11:50:07 2021 +
Commit: Pacho Ramos  gentoo  org>
CommitDate: Thu Sep  2 12:00:46 2021 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=8af47ad6

sci-chemistry/dssp: Needs boost with zlib and bzip2

Package-Manager: Portage-3.0.22, Repoman-3.0.3
Signed-off-by: Pacho Ramos  gentoo.org>

 sci-chemistry/dssp/dssp-2.2.1-r3.ebuild | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/sci-chemistry/dssp/dssp-2.2.1-r3.ebuild 
b/sci-chemistry/dssp/dssp-2.2.1-r3.ebuild
index 17a89bb51ff..8697005fc2c 100644
--- a/sci-chemistry/dssp/dssp-2.2.1-r3.ebuild
+++ b/sci-chemistry/dssp/dssp-2.2.1-r3.ebuild
@@ -14,7 +14,7 @@ SLOT="0"
 KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux"
 IUSE=""
 
-RDEPEND="dev-libs/boost:=[threads(+)]"
+RDEPEND="dev-libs/boost:=[bzip2,zlib,threads(+)]"
 DEPEND="${RDEPEND}"
 
 PATCHES=(

[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/dssp/

2021-09-02 Thread Pacho Ramos 
commit: 73c30608dfed594378b78b10858023a7f0a19686
Author: Pacho Ramos  gentoo  org>
AuthorDate: Thu Sep  2 11:44:31 2021 +
Commit: Pacho Ramos  gentoo  org>
CommitDate: Thu Sep  2 12:00:42 2021 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=73c30608

sci-chemistry/dssp: Bump to 4.0.1

Closes: https://bugs.gentoo.org/679142
Closes: https://bugs.gentoo.org/802417
Closes: https://bugs.gentoo.org/808669
Package-Manager: Portage-3.0.22, Repoman-3.0.3
Signed-off-by: Pacho Ramos  gentoo.org>

 sci-chemistry/dssp/Manifest|  1 +
 sci-chemistry/dssp/dssp-4.0.1_p20210831.ebuild | 33 ++
 2 files changed, 34 insertions(+)

diff --git a/sci-chemistry/dssp/Manifest b/sci-chemistry/dssp/Manifest
index ada8aac8e5c..170fb6728d5 100644
--- a/sci-chemistry/dssp/Manifest
+++ b/sci-chemistry/dssp/Manifest
@@ -1 +1,2 @@
 DIST dssp-2.2.1.tgz 47141 BLAKE2B 
34d8b2db8797a8c23763766c0214337f03584c4be52c1bc820a0df0db6a5f78ac0229aafdd47a60b8fd6f4832abf0399663c53f9e898c75f08ecbe22b141c8da
 SHA512 
4a273714d6b3230daea166caa7f4117d5ccb225bea0cf1bc2eb61539b6cc8e227d0ba19047d61f0ad0d1d6bc2efdec9c193bd44341e15ef0950acb4a22498811
+DIST dssp-4.0.1_p20210831.tar.gz 121793 BLAKE2B 
1e028b086b418772a93db350f8084d1786996ff6ea935d236b1431d8f4a07c0b33ebf374a4c4d5d4d243952f3f56e29a548ce09763863a1e0c529755fba6c211
 SHA512 
62f1ac781dd3d6f3436e6c155ae1a470d0baf6a6d9f6d6729034a7a5ef41550f76d0473c688d235279336306c9f3598377c056cddd6d00a89a826fbb04c1bfb3

diff --git a/sci-chemistry/dssp/dssp-4.0.1_p20210831.ebuild 
b/sci-chemistry/dssp/dssp-4.0.1_p20210831.ebuild
new file mode 100644
index 000..407efe50622
--- /dev/null
+++ b/sci-chemistry/dssp/dssp-4.0.1_p20210831.ebuild
@@ -0,0 +1,33 @@
+# Copyright 1999-2021 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=7
+inherit cmake
+
+DESCRIPTION="The protein secondary structure standard"
+HOMEPAGE="https://swift.cmbi.umcn.nl/gv/dssp/ https://github.com/PDB-REDO/dssp";
+
+COMMIT="728cc7c6c8d95460d8db453cf7adb25a89ba15f6"
+SRC_URI="https://github.com/PDB-REDO/${PN}/archive/${COMMIT}.tar.gz -> 
${P}.tar.gz"
+S="${WORKDIR}/${PN}-${COMMIT}"
+
+LICENSE="BSD-2"
+SLOT="0"
+KEYWORDS="~amd64"
+IUSE=""
+
+BDEPEND="
+   >=dev-libs/boost-1.70.0:=[threads(+)]
+   >=sci-libs/libcifpp-1.1.1
+"
+DEPEND=""
+RDEPEND="${BDEPEND}"
+
+pkg_postinst() {
+   if has_version sci-chemistry/gromacs; then
+   ewarn "DSSP > 3.0.x is not compatible with gmx do_dssp:"
+   ewarn "https://gitlab.com/gromacs/gromacs/-/issues/4129";
+   ewarn
+   ewarn "Feel free to mask newer versions if needed."
+   fi
+}

[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/dssp/

2021-06-18 Thread David Seifert 
commit: 52534e4620935c7d19b225911ecc96ab838ee1e8
Author: David Seifert  gentoo  org>
AuthorDate: Fri Jun 18 19:17:26 2021 +
Commit: David Seifert  gentoo  org>
CommitDate: Fri Jun 18 19:17:26 2021 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=52534e46

sci-chemistry/dssp: Depend on dev-libs/boost:=[threads(+)]

Package-Manager: Portage-3.0.20, Repoman-3.0.3
Signed-off-by: David Seifert  gentoo.org>

 sci-chemistry/dssp/{dssp-2.2.1-r1.ebuild => dssp-2.2.1-r2.ebuild} | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/sci-chemistry/dssp/dssp-2.2.1-r1.ebuild 
b/sci-chemistry/dssp/dssp-2.2.1-r2.ebuild
similarity index 92%
rename from sci-chemistry/dssp/dssp-2.2.1-r1.ebuild
rename to sci-chemistry/dssp/dssp-2.2.1-r2.ebuild
index b660e9ef3c9..63075d4d429 100644
--- a/sci-chemistry/dssp/dssp-2.2.1-r1.ebuild
+++ b/sci-chemistry/dssp/dssp-2.2.1-r2.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
@@ -14,7 +14,7 @@ SLOT="0"
 KEYWORDS="amd64 x86 ~amd64-linux ~x86-linux"
 IUSE=""
 
-RDEPEND="dev-libs/boost:=[threads]"
+RDEPEND="dev-libs/boost:=[threads(+)]"
 DEPEND="${RDEPEND}"
 
 PATCHES=(

[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/dssp/files/, sci-chemistry/dssp/

2017-09-16 Thread David Seifert 
commit: c088dec53c87470f6eb3e6afd62801f5017fb914
Author: David Seifert  gentoo  org>
AuthorDate: Sat Sep 16 13:52:10 2017 +
Commit: David Seifert  gentoo  org>
CommitDate: Sat Sep 16 13:59:08 2017 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=c088dec5

sci-chemistry/dssp: Fix boost TR1 header include

Closes: https://bugs.gentoo.org/630776
Package-Manager: Portage-2.3.8, Repoman-2.3.3

 sci-chemistry/dssp/dssp-2.2.1-r1.ebuild| 28 
 .../files/dssp-2.2.1-boost-1.65-tr1-removal.patch  | 82 ++
 2 files changed, 97 insertions(+), 13 deletions(-)

diff --git a/sci-chemistry/dssp/dssp-2.2.1-r1.ebuild 
b/sci-chemistry/dssp/dssp-2.2.1-r1.ebuild
index a50e602ad32..b660e9ef3c9 100644
--- a/sci-chemistry/dssp/dssp-2.2.1-r1.ebuild
+++ b/sci-chemistry/dssp/dssp-2.2.1-r1.ebuild
@@ -1,9 +1,9 @@
-# Copyright 1999-2014 Gentoo Foundation
+# Copyright 1999-2017 Gentoo Foundation
 # Distributed under the terms of the GNU General Public License v2
 
-EAPI=5
+EAPI=6
 
-inherit eutils multilib toolchain-funcs
+inherit toolchain-funcs
 
 DESCRIPTION="The protein secondary structure standard"
 HOMEPAGE="http://swift.cmbi.ru.nl/gv/dssp/";
@@ -17,17 +17,19 @@ IUSE=""
 RDEPEND="dev-libs/boost:=[threads]"
 DEPEND="${RDEPEND}"
 
-src_prepare() {
+PATCHES=(
+   "${FILESDIR}"/${PN}-2.1.0-gentoo.patch
+   "${FILESDIR}"/${PN}-2.2.1-boost-1.65-tr1-removal.patch
+)
+
+src_configure() {
tc-export CXX
 
-   cat >> make.config <<- EOF
-   BOOST_LIB_SUFFIX = -mt
-   BOOST_LIB_DIR = "${EPREFIX}/usr/$(get_libdir)"
-   BOOST_INC_DIR = "${EPREFIX}/usr/include"
+   cat >> make.config <<- EOF || die
+   BOOST_LIB_SUFFIX = -mt
+   BOOST_LIB_DIR = "${EPREFIX}/usr/$(get_libdir)"
+   BOOST_INC_DIR = "${EPREFIX}/usr/include"
EOF
-
-   epatch \
-   "${FILESDIR}"/${PN}-2.1.0-gentoo.patch
 }
 
 src_install() {
@@ -36,8 +38,8 @@ src_install() {
doman doc/mkdssp.1
dodoc README.txt changelog
 
-   cat >> "${T}"/30-${PN} <<- EOF
-   DSSP="${EPREFIX}"/usr/bin/${PN}
+   cat >> "${T}"/30-${PN} <<- EOF || die
+   DSSP="${EPREFIX}"/usr/bin/${PN}
EOF
doenvd "${T}"/30-${PN}
 }

diff --git a/sci-chemistry/dssp/files/dssp-2.2.1-boost-1.65-tr1-removal.patch 
b/sci-chemistry/dssp/files/dssp-2.2.1-boost-1.65-tr1-removal.patch
new file mode 100644
index 000..4eee6b56734
--- /dev/null
+++ b/sci-chemistry/dssp/files/dssp-2.2.1-boost-1.65-tr1-removal.patch
@@ -0,0 +1,82 @@
+--- a/src/dssp.cpp
 b/src/dssp.cpp
+@@ -73,7 +73,7 @@
+ 
+   double alpha;
+   char chirality;
+-  tr1::tie(alpha,chirality) = residue.Alpha();
++  boost::tie(alpha,chirality) = residue.Alpha();
+   
+   uint32 bp[2] = {};
+   char bridgelabel[2] = { ' ', ' ' };
+--- a/src/primitives-3d.cpp
 b/src/primitives-3d.cpp
+@@ -153,7 +153,7 @@
+ 
+ // 
+ 
+-tr1::tuple QuaternionToAngleAxis(MQuaternion q)
++boost::tuple QuaternionToAngleAxis(MQuaternion q)
+ {
+   if (q.R_component_1() > 1)
+   q = Normalize(q);
+@@ -169,7 +169,7 @@
+   
+   MPoint axis(q.R_component_2() / s, q.R_component_3() / s, 
q.R_component_4() / s);
+ 
+-  return tr1::make_tuple(angle, axis);
++  return boost::make_tuple(angle, axis);
+ }
+ 
+ MPoint CenterPoints(vector& points)
+--- a/src/primitives-3d.h
 b/src/primitives-3d.h
+@@ -9,7 +9,7 @@
+ 
+ #include 
+ 
+-#include 
++#include 
+ #include 
+ 
+ typedef boost::math::quaternion MQuaternion;
+@@ -64,7 +64,7 @@
+ 
+ MQuaternion Normalize(MQuaternion q);
+ 
+-std::tr1::tuple QuaternionToAngleAxis(MQuaternion q);
++boost::tuple QuaternionToAngleAxis(MQuaternion q);
+ MPoint Centroid(std::vector& points);
+ MPoint CenterPoints(std::vector& points);
+ MQuaternion AlignPoints(const std::vector& a, const 
std::vector& b);
+--- a/src/structure.cpp
 b/src/structure.cpp
+@@ -544,7 +544,7 @@
+   return result;
+ }
+ 
+-tr1::tuple MResidue::Alpha() const
++boost::tuple MResidue::Alpha() const
+ {
+   double alhpa = 360;
+   char chirality = ' ';
+@@ -558,7 +558,7 @@
+   else
+   chirality = '+';
+   }
+-  return tr1::make_tuple(alhpa, chirality);
++  return boost::make_tuple(alhpa, chirality);
+ }
+ 
+ double MResidue::Kappa() const
+--- a/src/structure.h
 b/src/structure.h
+@@ -168,7 +168,7 @@
+ 
+   double  Phi() const;
+   double  Psi() const;
+-  std::tr1::tuple
++  boost::tuple
+   Alpha() const;
+   double  Kappa() const;
+   double  TCO() const;

[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/dssp/files/

2017-01-31 Thread David Seifert 
commit: cab595fe564959e0709fd06b9c09d1ecef12c465
Author: Michael Mair-Keimberger (asterix)  gmail 
 com>
AuthorDate: Mon Jan 30 16:59:36 2017 +
Commit: David Seifert  gentoo  org>
CommitDate: Tue Jan 31 08:41:04 2017 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=cab595fe

sci-chemistry/dssp: remove unused Makefile

Closes: https://github.com/gentoo/gentoo/pull/3730

 sci-chemistry/dssp/files/Makefile | 7 ---
 1 file changed, 7 deletions(-)

diff --git a/sci-chemistry/dssp/files/Makefile 
b/sci-chemistry/dssp/files/Makefile
deleted file mode 100644
index 575202e..
--- a/sci-chemistry/dssp/files/Makefile
+++ /dev/null
@@ -1,7 +0,0 @@
-#OBJ = AccSurf.o CalcAccSurf.o Contacts.o Date.o Dssp.o DsspCMBI.o p2clib.o 
Vector.o
-OBJ = AccSurf.o CalcAccSurf.o Contacts.o Date.o DsspCMBI.o p2clib.o Vector.o
-
-LIBS = -lm
-
-dssp: $(OBJ)
-   $(CC) $(CFLAGS) $(LDFLAGS) -o $@ $(OBJ) $(LIBS)

[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/dssp/, sci-chemistry/dssp/files/

2015-08-15 Thread Justin Lecher 
commit: 11ee21569f870e70f3e8ff45d9b87210b224ac76
Author: Justin Lecher  gentoo  org>
AuthorDate: Sat Aug 15 13:56:05 2015 +
Commit: Justin Lecher  gentoo  org>
CommitDate: Sat Aug 15 14:41:52 2015 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=11ee2156

sci-chemistry/dssp: Add missing USE dep, bug #557840 drop old patches

Package-Manager: portage-2.2.20.1
Signed-off-by: Justin Lecher  gentoo.org>

 sci-chemistry/dssp/dssp-2.2.1-r1.ebuild  |  2 +-
 sci-chemistry/dssp/files/dssp-2.0.4-gcc47.patch  | 46 
 sci-chemistry/dssp/files/dssp-2.0.4-gentoo.patch | 70 
 3 files changed, 1 insertion(+), 117 deletions(-)

diff --git a/sci-chemistry/dssp/dssp-2.2.1-r1.ebuild 
b/sci-chemistry/dssp/dssp-2.2.1-r1.ebuild
index 5e8b800..28f8ace 100644
--- a/sci-chemistry/dssp/dssp-2.2.1-r1.ebuild
+++ b/sci-chemistry/dssp/dssp-2.2.1-r1.ebuild
@@ -15,7 +15,7 @@ SLOT="0"
 KEYWORDS="amd64 x86 ~amd64-linux ~x86-linux"
 IUSE=""
 
-RDEPEND="dev-libs/boost:="
+RDEPEND="dev-libs/boost:=[threads]"
 DEPEND="${RDEPEND}"
 
 src_prepare() {

diff --git a/sci-chemistry/dssp/files/dssp-2.0.4-gcc47.patch 
b/sci-chemistry/dssp/files/dssp-2.0.4-gcc47.patch
deleted file mode 100644
index 5db1437..000
--- a/sci-chemistry/dssp/files/dssp-2.0.4-gcc47.patch
+++ /dev/null
@@ -1,46 +0,0 @@
- src/matrix.h  |5 +++--
- src/primitives-3d.cpp |1 +
- 2 files changed, 4 insertions(+), 2 deletions(-)
-
-diff --git a/src/matrix.h b/src/matrix.h
-index 1053ad9..d7dae5f 100644
 a/src/matrix.h
-+++ b/src/matrix.h
-@@ -14,6 +14,7 @@
- #include 
- #include 
- #include 
-+#include 
- 
- // 
- // uBlas compatible matrix types
-@@ -284,7 +285,7 @@ class identity_matrix : public matrix_base
- template
- matrix operator*(const matrix_base& lhs, const matrix_base& rhs)
- {
--  matrix result(min(lhs.dim_m(), rhs.dim_m()), min(lhs.dim_n(), 
rhs.dim_n()));
-+  matrix result(std::min(lhs.dim_m(), rhs.dim_m()), 
std::min(lhs.dim_n(), rhs.dim_n()));
-   
-   for (uint32 i = 0; i < result.dim_m(); ++i)
-   {
-@@ -310,7 +311,7 @@ matrix operator*(const matrix_base& lhs, T rhs)
- template
- matrix operator-(const matrix_base& lhs, const matrix_base& rhs)
- {
--  matrix result(min(lhs.dim_m(), rhs.dim_m()), min(lhs.dim_n(), 
rhs.dim_n()));
-+  matrix result(std::min(lhs.dim_m(), rhs.dim_m()), 
std::min(lhs.dim_n(), rhs.dim_n()));
-   
-   for (uint32 i = 0; i < result.dim_m(); ++i)
-   {
-diff --git a/src/primitives-3d.cpp b/src/primitives-3d.cpp
-index b04e7c4..4532ecd 100644
 a/src/primitives-3d.cpp
-+++ b/src/primitives-3d.cpp
-@@ -9,6 +9,7 @@
- 
- #include 
- #include 
-+#include 
- 
- #include 
- #define foreach BOOST_FOREACH

diff --git a/sci-chemistry/dssp/files/dssp-2.0.4-gentoo.patch 
b/sci-chemistry/dssp/files/dssp-2.0.4-gentoo.patch
deleted file mode 100644
index 3db40f6..000
--- a/sci-chemistry/dssp/files/dssp-2.0.4-gentoo.patch
+++ /dev/null
@@ -1,70 +0,0 @@
- makefile |   24 ++--
- 1 files changed, 14 insertions(+), 10 deletions(-)
-
-diff --git a/makefile b/makefile
-index df699b7..9d2167b 100644
 a/makefile
-+++ b/makefile
-@@ -2,7 +2,7 @@
- #
- #  Copyright Maarten L. Hekkelman, Radboud University 2008-2011.
- # Distributed under the Boost Software License, Version 1.0.
--#(See accompanying file LICENSE_1_0.txt or copy at
-+#(See aCXXompanying file LICENSE_1_0.txt or copy at
- #  http://www.boost.org/LICENSE_1_0.txt)
- #
- # This makefile includes a file called make.config. It will create a
-@@ -24,22 +24,23 @@ BOOST_LIBS = thread regex filesystem 
program_options date_time iostreams math_
- LIBS  = $(BOOST_LIBS:%=boost_%$(BOOST_LIB_SUFFIX)) z 
bz2
- 
- DEFINES   = USE_COMPRESSION LINUX 
VERSION='"$(VERSION)"'
--CC= c++
-+CXX   ?= c++
- 
--CFLAGS= $(INC_DIR:%=-I%) -iquote src -g -Wall 
-Wno-multichar -pthread
--LDOPTS= $(LIB_DIR:%=-L%) $(LIBS:%=-l%) -g 
-pthread
-+CPPFLAGS  += $(INC_DIR:%=-I%) -iquote src
-+CXXFLAGS  += -Wall -Wno-multichar -pthread
-+LDOPTS= $(LIB_DIR:%=-L%) $(LIBS:%=-l%) 
-pthread
- 
- OBJ_DIR   = obj
- 
- ifeq ($(DEBUG),1)
- OBJ_DIR   := $(OBJ_DIR).dbg
--CFLAGS+= -g3
-+CFLAGS+= 
- else
- DEFINES   += NDEBUG
--CFLAGS+= -O3
-+CFLAGS+= 
- endif
- 
--CFLAGS+= $(DEFINES:%=-D%)
-+CPPFLAGS  += $(DEFINES:%=-D%)
- 
- DIST_NAME = dssp-$(VERSI