[gentoo-commits] proj/sci:master commit in: sci-physics/atompaw/
commit: 0921f201ac5c57d5d66fe6247aebae1bc9db3b39 Author: Andrew Ammerlaan gentoo org> AuthorDate: Thu Dec 16 10:54:12 2021 + Commit: Andrew Ammerlaan gentoo org> CommitDate: Thu Dec 16 10:54:12 2021 + URL:https://gitweb.gentoo.org/proj/sci.git/commit/?id=0921f201 sci-physics/atompaw: drop UnusedInherits Package-Manager: Portage-3.0.28, Repoman-3.0.3 Signed-off-by: Andrew Ammerlaan gentoo.org> sci-physics/atompaw/atompaw-4.1.1.0.ebuild | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/sci-physics/atompaw/atompaw-4.1.1.0.ebuild b/sci-physics/atompaw/atompaw-4.1.1.0.ebuild index 890da6497..b9d8912b8 100644 --- a/sci-physics/atompaw/atompaw-4.1.1.0.ebuild +++ b/sci-physics/atompaw/atompaw-4.1.1.0.ebuild @@ -3,7 +3,7 @@ EAPI=7 -inherit fortran-2 multilib toolchain-funcs +inherit fortran-2 toolchain-funcs DESCRIPTION="PAW atomic data generator" HOMEPAGE="http://users.wfu.edu/natalie/papers/pwpaw/man.html";
[gentoo-commits] proj/sci:master commit in: sci-physics/atompaw/
commit: dca6241724053c1532b08ce9b9501deabca03957 Author: Andrew Ammerlaan riseup net> AuthorDate: Mon Feb 1 14:52:19 2021 + Commit: Andrew Ammerlaan riseup net> CommitDate: Mon Feb 1 14:52:19 2021 + URL:https://gitweb.gentoo.org/proj/sci.git/commit/?id=dca62417 sci-physics/atompaw: fix homepage the https version gives an ssl error on repology Package-Manager: Portage-3.0.14, Repoman-3.0.2 Signed-off-by: Andrew Ammerlaan riseup.net> sci-physics/atompaw/atompaw-4.1.1.0.ebuild | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/sci-physics/atompaw/atompaw-4.1.1.0.ebuild b/sci-physics/atompaw/atompaw-4.1.1.0.ebuild index bc9c31650..890da6497 100644 --- a/sci-physics/atompaw/atompaw-4.1.1.0.ebuild +++ b/sci-physics/atompaw/atompaw-4.1.1.0.ebuild @@ -6,7 +6,7 @@ EAPI=7 inherit fortran-2 multilib toolchain-funcs DESCRIPTION="PAW atomic data generator" -HOMEPAGE="https://users.wfu.edu/natalie/papers/pwpaw/man.html"; +HOMEPAGE="http://users.wfu.edu/natalie/papers/pwpaw/man.html"; SRC_URI=" http://users.wfu.edu/natalie/papers/pwpaw/${P}.tar.gz http://users.wfu.edu/natalie/papers/pwpaw/atompaw.pdf
[gentoo-commits] proj/sci:master commit in: sci-physics/atompaw/
commit: f26b1311129ed399e50919eefda4053767d879f4 Author: Andrew Ammerlaan riseup net> AuthorDate: Thu Jan 28 16:30:47 2021 + Commit: Andrew Ammerlaan riseup net> CommitDate: Thu Jan 28 16:30:47 2021 + URL:https://gitweb.gentoo.org/proj/sci.git/commit/?id=f26b1311 sci-physics/atompaw: install pdf docs unconditionally Package-Manager: Portage-3.0.14, Repoman-3.0.2 Signed-off-by: Andrew Ammerlaan riseup.net> sci-physics/atompaw/atompaw-4.1.1.0.ebuild | 13 + 1 file changed, 5 insertions(+), 8 deletions(-) diff --git a/sci-physics/atompaw/atompaw-4.1.1.0.ebuild b/sci-physics/atompaw/atompaw-4.1.1.0.ebuild index efba86aee..bc9c31650 100644 --- a/sci-physics/atompaw/atompaw-4.1.1.0.ebuild +++ b/sci-physics/atompaw/atompaw-4.1.1.0.ebuild @@ -9,16 +9,15 @@ DESCRIPTION="PAW atomic data generator" HOMEPAGE="https://users.wfu.edu/natalie/papers/pwpaw/man.html"; SRC_URI=" http://users.wfu.edu/natalie/papers/pwpaw/${P}.tar.gz - doc? ( - http://users.wfu.edu/natalie/papers/pwpaw/atompaw.pdf - http://users.wfu.edu/natalie/papers/pwpaw/notes/atompaw/atompawEqns.pdf -)" + http://users.wfu.edu/natalie/papers/pwpaw/atompaw.pdf + http://users.wfu.edu/natalie/papers/pwpaw/notes/atompaw/atompawEqns.pdf +" LICENSE="GPL-2" SLOT="0" KEYWORDS="~amd64 ~x86" -IUSE="doc libxc longplot" +IUSE="libxc longplot" RDEPEND=" virtual/blas @@ -32,9 +31,7 @@ FORTRAN_STANDARD=90 src_unpack() { unpack ${P}.tar.gz - if use doc; then - cp "${DISTDIR}"/atompaw.pdf "${DISTDIR}"/atompawEqns.pdf "${S}"/doc/ || die - fi + cp "${DISTDIR}"/atompaw.pdf "${DISTDIR}"/atompawEqns.pdf "${S}"/doc/ || die } src_prepare() {
[gentoo-commits] proj/sci:master commit in: sci-physics/atompaw/
commit: 3d69c76eaed568c123088e708274d536c46e3e09 Author: Andrew Ammerlaan riseup net> AuthorDate: Thu Jan 28 16:07:57 2021 + Commit: Andrew Ammerlaan riseup net> CommitDate: Thu Jan 28 16:07:57 2021 + URL:https://gitweb.gentoo.org/proj/sci.git/commit/?id=3d69c76e sci-physics/atompaw: version bump 4.1.1.0, EAPI bump Package-Manager: Portage-3.0.14, Repoman-3.0.2 Manifest-Sign-Key: A19F636CD4EDBCD1 Signed-off-by: Andrew Ammerlaan riseup.net> sci-physics/atompaw/atompaw-4.0.0.14.ebuild | 69 - sci-physics/atompaw/atompaw-4.1.1.0.ebuild | 58 2 files changed, 58 insertions(+), 69 deletions(-) diff --git a/sci-physics/atompaw/atompaw-4.0.0.14.ebuild b/sci-physics/atompaw/atompaw-4.0.0.14.ebuild deleted file mode 100644 index 1e908bd96..0 --- a/sci-physics/atompaw/atompaw-4.0.0.14.ebuild +++ /dev/null @@ -1,69 +0,0 @@ -# Copyright 1999-2021 Gentoo Authors -# Distributed under the terms of the GNU General Public License v2 - -EAPI=5 - -inherit autotools-utils eutils fortran-2 multilib toolchain-funcs - -DESCRIPTION="PAW atomic data generator" -HOMEPAGE="http://www.wfu.edu/~natalie/papers/pwpaw/man.html"; -SRC_URI=" - http://www.wfu.edu/~natalie/papers/pwpaw/${P}.tar.gz - doc? ( - http://www.wfu.edu/~natalie/papers/pwpaw/atompaw.pdf - http://www.wfu.edu/~natalie/papers/pwpaw/notes/atompaw/atompawEqns.pdf )" - -LICENSE="GPL-2" -SLOT="0" -KEYWORDS="~amd64 ~x86" -IUSE="doc libxc longplot test" -RESTRICT="!test? ( test )" - -RDEPEND=" - virtual/blas - virtual/lapack - libxc? ( >=sci-libs/libxc-2.0.1[fortran] )" -DEPEND="${RDEPEND} - virtual/pkgconfig" - -DOCS=( README ) - -FORTRAN_STANDARD=90 - -src_unpack() { - unpack ${P}.tar.gz - if use doc; then - cp "${DISTDIR}"/atompaw.pdf "${DISTDIR}"/atompawEqns.pdf "${S}"/doc/ || die - fi -} - -src_prepare() { - use longplot && epatch "${FILESDIR}"/4.0-longplot.patch -} - -src_configure() { - local myeconfargs=( - $(use_enable libxc) - --with-linalg-flavor=atlas - --with-linalg-libs="$($(tc-getPKG_CONFIG) --libs blas lapack)" - --with-libxc-incs="-I/usr/include $($(tc-getPKG_CONFIG) --cflags libxc)" - --with-libxc-libs="$($(tc-getPKG_CONFIG) --libs libxc)" - FC="$(tc-getFC)" FCFLAGS="${FCFLAGS:- ${FFLAGS:- -O2}}" - CC="$(tc-getCC)" LDFLAGS="${LDFLAGS:- ${CFLAGS:- -O2}}" - ) - autotools-utils_src_configure -} - -src_compile() { - autotools-utils_src_compile -j1 -} - -src_test() { - use test && autotools-utils_src_test -} - -src_install() { - autotools-utils_src_install - - use doc && dodoc doc/atompaw.pdf doc/atompawEqns.pdf -} diff --git a/sci-physics/atompaw/atompaw-4.1.1.0.ebuild b/sci-physics/atompaw/atompaw-4.1.1.0.ebuild new file mode 100644 index 0..efba86aee --- /dev/null +++ b/sci-physics/atompaw/atompaw-4.1.1.0.ebuild @@ -0,0 +1,58 @@ +# Copyright 1999-2021 Gentoo Authors +# Distributed under the terms of the GNU General Public License v2 + +EAPI=7 + +inherit fortran-2 multilib toolchain-funcs + +DESCRIPTION="PAW atomic data generator" +HOMEPAGE="https://users.wfu.edu/natalie/papers/pwpaw/man.html"; +SRC_URI=" + http://users.wfu.edu/natalie/papers/pwpaw/${P}.tar.gz + doc? ( + http://users.wfu.edu/natalie/papers/pwpaw/atompaw.pdf + http://users.wfu.edu/natalie/papers/pwpaw/notes/atompaw/atompawEqns.pdf +)" + +LICENSE="GPL-2" +SLOT="0" +KEYWORDS="~amd64 ~x86" + +IUSE="doc libxc longplot" + +RDEPEND=" + virtual/blas + virtual/lapack + libxc? ( >=sci-libs/libxc-2.0.1[fortran] ) +" +DEPEND="${RDEPEND}" +BDEPEND="virtual/pkgconfig" + +FORTRAN_STANDARD=90 + +src_unpack() { + unpack ${P}.tar.gz + if use doc; then + cp "${DISTDIR}"/atompaw.pdf "${DISTDIR}"/atompawEqns.pdf "${S}"/doc/ || die + fi +} + +src_prepare() { + default + use longplot && eapply "${FILESDIR}"/4.0-longplot.patch +} + +src_configure() { + econf \ + $(use_enable libxc) \ + --with-linalg-libs="$($(tc-getPKG_CONFIG) --libs blas lapack)" \ + --with-libxc-incs="-I/usr/include $($(tc-getPKG_CONFIG) --cflags libxc)" \ + --with-libxc-libs="$($(tc-getPKG_CONFIG) --libs libxc)" \ + FC="$(tc-getFC)" FCFLAGS="${FCFLAGS:- ${FFLAGS:- -O2}}" \ + CC="$(tc-getCC)" LDFLAGS="${LDFLAGS:- ${CFLAGS:- -O2}}" +} + +src_install() { + default + dodoc doc/atompaw.pdf doc/atompawEqns.pdf +}
[gentoo-commits] proj/sci:master commit in: sci-physics/atompaw/
commit: 901991c21a4f49579355453aff6a3415e9feecc7 Author: Andrew Ammerlaan riseup net> AuthorDate: Tue Jan 19 16:58:04 2021 + Commit: Andrew Ammerlaan riseup net> CommitDate: Tue Jan 19 16:58:04 2021 + URL:https://gitweb.gentoo.org/proj/sci.git/commit/?id=901991c2 sci-physics/atompaw: add RESTRICT="!test? ( test )" Package-Manager: Portage-3.0.13, Repoman-3.0.2 Signed-off-by: Andrew Ammerlaan riseup.net> sci-physics/atompaw/atompaw-4.0.0.14.ebuild | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/sci-physics/atompaw/atompaw-4.0.0.14.ebuild b/sci-physics/atompaw/atompaw-4.0.0.14.ebuild index a1129718a..1e908bd96 100644 --- a/sci-physics/atompaw/atompaw-4.0.0.14.ebuild +++ b/sci-physics/atompaw/atompaw-4.0.0.14.ebuild @@ -1,4 +1,4 @@ -# Copyright 1999-2020 Gentoo Authors +# Copyright 1999-2021 Gentoo Authors # Distributed under the terms of the GNU General Public License v2 EAPI=5 @@ -17,6 +17,7 @@ LICENSE="GPL-2" SLOT="0" KEYWORDS="~amd64 ~x86" IUSE="doc libxc longplot test" +RESTRICT="!test? ( test )" RDEPEND=" virtual/blas
[gentoo-commits] proj/sci:master commit in: sci-physics/atompaw/
commit: 38fa02c8cc33f0dfc7dc8fe9788b583e9dd22d3b Author: Aisha Tammy aisha cc> AuthorDate: Wed Dec 9 21:42:30 2020 + Commit: Aisha Tammy aisha cc> CommitDate: Fri Dec 11 18:55:04 2020 + URL:https://gitweb.gentoo.org/proj/sci.git/commit/?id=38fa02c8 sci-physics/atompaw: fix linking to blas Closes: https://bugs.gentoo.org/755818 Jan Macháček centrum.cz> Package-Manager: Portage-3.0.11, Repoman-3.0.2 Signed-off-by: Aisha Tammy aisha.cc> sci-physics/atompaw/atompaw-4.0.0.14.ebuild | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/sci-physics/atompaw/atompaw-4.0.0.14.ebuild b/sci-physics/atompaw/atompaw-4.0.0.14.ebuild index 1c272ace6..a1129718a 100644 --- a/sci-physics/atompaw/atompaw-4.0.0.14.ebuild +++ b/sci-physics/atompaw/atompaw-4.0.0.14.ebuild @@ -1,4 +1,4 @@ -# Copyright 1999-2017 Gentoo Foundation +# Copyright 1999-2020 Gentoo Authors # Distributed under the terms of the GNU General Public License v2 EAPI=5 @@ -44,7 +44,7 @@ src_configure() { local myeconfargs=( $(use_enable libxc) --with-linalg-flavor=atlas - --with-linalg-libs="$($(tc-getPKG_CONFIG) --libs lapack)" + --with-linalg-libs="$($(tc-getPKG_CONFIG) --libs blas lapack)" --with-libxc-incs="-I/usr/include $($(tc-getPKG_CONFIG) --cflags libxc)" --with-libxc-libs="$($(tc-getPKG_CONFIG) --libs libxc)" FC="$(tc-getFC)" FCFLAGS="${FCFLAGS:- ${FFLAGS:- -O2}}"
[gentoo-commits] proj/sci:master commit in: sci-physics/atompaw/, sci-physics/atompaw/files/
commit: b94814fb41f7cfefc7dcffc604e8952e09dd70d6 Author: Honza Macháček centrum cz> AuthorDate: Wed Jan 11 15:44:50 2017 + Commit: Honza Macháček centrum cz> CommitDate: Wed Jan 11 15:44:50 2017 + URL:https://gitweb.gentoo.org/proj/sci.git/commit/?id=b94814fb Version bumped to sci-physics/atompaw-4.0.0.14, old versions cleaned up. Package-Manager: Portage-2.3.2, Repoman-2.3.1 sci-physics/atompaw/atompaw-3.0.1.9-r1.ebuild | 67 - sci-physics/atompaw/atompaw-4.0.0.13.ebuild| 69 -- ...paw-4.0.0.10.ebuild => atompaw-4.0.0.14.ebuild} | 2 +- sci-physics/atompaw/files/3.0.1-longplot.patch | 12 sci-physics/atompaw/metadata.xml | 24 5 files changed, 25 insertions(+), 149 deletions(-) diff --git a/sci-physics/atompaw/atompaw-3.0.1.9-r1.ebuild b/sci-physics/atompaw/atompaw-3.0.1.9-r1.ebuild deleted file mode 100644 index bbe3c2e..000 --- a/sci-physics/atompaw/atompaw-3.0.1.9-r1.ebuild +++ /dev/null @@ -1,67 +0,0 @@ -# Copyright 1999-2014 Gentoo Foundation -# Distributed under the terms of the GNU General Public License v2 -# $Id$ - -EAPI=5 - -inherit autotools-utils eutils fortran-2 multilib toolchain-funcs - -DESCRIPTION="PAW atomic data generator" -HOMEPAGE="http://www.wfu.edu/~natalie/papers/pwpaw/man.html"; -SRC_URI=" - http://www.wfu.edu/~natalie/papers/pwpaw/${P}.tar.gz - doc? ( - http://www.wfu.edu/~natalie/papers/pwpaw/atompaw.pdf - http://www.wfu.edu/~natalie/papers/pwpaw/notes/atompaw/atompawEqns.pdf )" - -LICENSE="GPL-2" -SLOT="0" -KEYWORDS="~amd64 ~x86" -IUSE="doc libxc test" - -RDEPEND=" - virtual/blas - virtual/lapack - libxc? ( >=sci-libs/libxc-1.2.0-r1[fortran] )" -DEPEND="${RDEPEND} - virtual/pkgconfig" - -DOCS=( README ) - -FORTRAN_STANDARD=90 - -MAKEOPTS+=" -j1" - -src_unpack() { - unpack ${P}.tar.gz - if use doc; then - cp "${DISTDIR}"/atompaw.pdf "${DISTDIR}"/atompawEqns.pdf "${S}"/doc/ || die - fi -} - -src_prepare() { - epatch "${FILESDIR}"/3.0.1-longplot.patch -} - -src_configure() { - local myeconfargs=( - $(use_enable libxc) - --with-linalg-flavor=atlas - --with-linalg-libs="$($(tc-getPKG_CONFIG) --libs lapack)" - --with-libxc-incs="-I/usr/include $($(tc-getPKG_CONFIG) --cflags libxc)" - --with-libxc-libs="$($(tc-getPKG_CONFIG) --libs libxc)" - FC="$(tc-getFC)" FCFLAGS="${FCFLAGS}" - CC="$(tc-getCC)" LDFLAGS="${LDFLAGS}" - ) - autotools-utils_src_configure -} - -src_test() { - use test && autotools-utils_src_test -} - -src_install() { - autotools-utils_src_install - - use doc && dodoc doc/atompaw.pdf doc/atompawEqns.pdf -} diff --git a/sci-physics/atompaw/atompaw-4.0.0.13.ebuild b/sci-physics/atompaw/atompaw-4.0.0.13.ebuild deleted file mode 100644 index 1251b17..000 --- a/sci-physics/atompaw/atompaw-4.0.0.13.ebuild +++ /dev/null @@ -1,69 +0,0 @@ -# Copyright 1999-2014 Gentoo Foundation -# Distributed under the terms of the GNU General Public License v2 -# $Id$ - -EAPI=5 - -inherit autotools-utils eutils fortran-2 multilib toolchain-funcs - -DESCRIPTION="PAW atomic data generator" -HOMEPAGE="http://www.wfu.edu/~natalie/papers/pwpaw/man.html"; -SRC_URI=" - http://www.wfu.edu/~natalie/papers/pwpaw/${P}.tar.gz - doc? ( - http://www.wfu.edu/~natalie/papers/pwpaw/atompaw.pdf - http://www.wfu.edu/~natalie/papers/pwpaw/notes/atompaw/atompawEqns.pdf )" - -LICENSE="GPL-2" -SLOT="0" -KEYWORDS="~amd64 ~x86" -IUSE="doc libxc longplot test" - -RDEPEND=" - virtual/blas - virtual/lapack - libxc? ( >=sci-libs/libxc-2.0.1[fortran] )" -DEPEND="${RDEPEND} - virtual/pkgconfig" - -DOCS=( README ) - -FORTRAN_STANDARD=90 - -src_unpack() { - unpack ${P}.tar.gz - if use doc; then - cp "${DISTDIR}"/atompaw.pdf "${DISTDIR}"/atompawEqns.pdf "${S}"/doc/ || die - fi -} - -src_prepare() { - use longplot && epatch "${FILESDIR}"/4.0-longplot.patch -} - -src_configure() { - local myeconfargs=( - $(use_enable libxc) - --with-linalg-flavor=atlas - --with-linalg-libs="$($(tc-getPKG_CONFIG) --libs lapack)" - --with-libxc-incs="-I/usr/include $($(tc-getPKG_CONFIG) --cflags libxc)" - --with-libxc-libs="$($(tc-getPKG_CONFIG) --libs libxc)" - FC="$(tc-getFC)" FCFLAGS="${FCFLAGS:- ${FFLAGS:- -O2}}" - CC="$(tc-getCC)" LDFLAGS="${LDFLAGS:- ${CFLAGS:- -O2}}" - ) - autotools-utils_src_configure -} - -src_compile() { - autotools-utils_src_compile -j1 -} - -src_test() { - use test && autotools-utils_src_test -} - -src_install() { - autotools-utils_src_install - - use doc && dodoc doc/atompaw.pdf doc/atompawEqns.pdf -} diff -
[gentoo-commits] proj/sci:master commit in: sci-physics/atompaw/
commit: 6a570714eafe29fa3525ebbb6c096187b73b19c1 Author: Honza Macháček centrum cz> AuthorDate: Tue Jun 7 08:52:34 2016 + Commit: Honza Macháček centrum cz> CommitDate: Tue Jun 7 08:52:34 2016 + URL:https://gitweb.gentoo.org/proj/sci.git/commit/?id=6a570714 sci-chemistry/atompaw version bumped to 4.0.0.13 Package-Manager: portage-2.2.27 sci-physics/atompaw/atompaw-4.0.0.13.ebuild | 69 + 1 file changed, 69 insertions(+) diff --git a/sci-physics/atompaw/atompaw-4.0.0.13.ebuild b/sci-physics/atompaw/atompaw-4.0.0.13.ebuild new file mode 100644 index 000..1251b17 --- /dev/null +++ b/sci-physics/atompaw/atompaw-4.0.0.13.ebuild @@ -0,0 +1,69 @@ +# Copyright 1999-2014 Gentoo Foundation +# Distributed under the terms of the GNU General Public License v2 +# $Id$ + +EAPI=5 + +inherit autotools-utils eutils fortran-2 multilib toolchain-funcs + +DESCRIPTION="PAW atomic data generator" +HOMEPAGE="http://www.wfu.edu/~natalie/papers/pwpaw/man.html"; +SRC_URI=" + http://www.wfu.edu/~natalie/papers/pwpaw/${P}.tar.gz + doc? ( + http://www.wfu.edu/~natalie/papers/pwpaw/atompaw.pdf + http://www.wfu.edu/~natalie/papers/pwpaw/notes/atompaw/atompawEqns.pdf )" + +LICENSE="GPL-2" +SLOT="0" +KEYWORDS="~amd64 ~x86" +IUSE="doc libxc longplot test" + +RDEPEND=" + virtual/blas + virtual/lapack + libxc? ( >=sci-libs/libxc-2.0.1[fortran] )" +DEPEND="${RDEPEND} + virtual/pkgconfig" + +DOCS=( README ) + +FORTRAN_STANDARD=90 + +src_unpack() { + unpack ${P}.tar.gz + if use doc; then + cp "${DISTDIR}"/atompaw.pdf "${DISTDIR}"/atompawEqns.pdf "${S}"/doc/ || die + fi +} + +src_prepare() { + use longplot && epatch "${FILESDIR}"/4.0-longplot.patch +} + +src_configure() { + local myeconfargs=( + $(use_enable libxc) + --with-linalg-flavor=atlas + --with-linalg-libs="$($(tc-getPKG_CONFIG) --libs lapack)" + --with-libxc-incs="-I/usr/include $($(tc-getPKG_CONFIG) --cflags libxc)" + --with-libxc-libs="$($(tc-getPKG_CONFIG) --libs libxc)" + FC="$(tc-getFC)" FCFLAGS="${FCFLAGS:- ${FFLAGS:- -O2}}" + CC="$(tc-getCC)" LDFLAGS="${LDFLAGS:- ${CFLAGS:- -O2}}" + ) + autotools-utils_src_configure +} + +src_compile() { + autotools-utils_src_compile -j1 +} + +src_test() { + use test && autotools-utils_src_test +} + +src_install() { + autotools-utils_src_install + + use doc && dodoc doc/atompaw.pdf doc/atompawEqns.pdf +}
[gentoo-commits] proj/sci:master commit in: sci-physics/atompaw/files/, sci-physics/atompaw/
commit: 570ae13afb046b744d6e1d4055a30422c319de8b Author: Honza Macháček centrum cz> AuthorDate: Fri Dec 12 17:26:24 2014 + Commit: Honza Macháček centrum cz> CommitDate: Fri Dec 12 17:26:24 2014 + URL:http://sources.gentoo.org/gitweb/?p=proj/sci.git;a=commit;h=570ae13a Version bump of sci-physics/atompaw to 4.0.0.10 Package-Manager: portage-2.2.14 --- sci-physics/atompaw/ChangeLog| 8 +++- sci-physics/atompaw/atompaw-4.0.0.10.ebuild | 69 sci-physics/atompaw/files/4.0-longplot.patch | 42 + sci-physics/atompaw/metadata.xml | 18 ++-- 4 files changed, 132 insertions(+), 5 deletions(-) diff --git a/sci-physics/atompaw/ChangeLog b/sci-physics/atompaw/ChangeLog index 54678f4..065f53d 100644 --- a/sci-physics/atompaw/ChangeLog +++ b/sci-physics/atompaw/ChangeLog @@ -1,7 +1,13 @@ # ChangeLog for sci-physics/atompaw -# Copyright 1999-2013 Gentoo Foundation; Distributed under the GPL v2 +# Copyright 1999-2014 Gentoo Foundation; Distributed under the GPL v2 # $Header: $ +*atompaw-4.0.0.10 (12 Dec 2014) + + 12 Dec 2014; Honza Macháček + +atompaw-4.0.0.10.ebuild, +files/4.0-longplot.patch, metadata.xml: + Version bump to sci-physics/atompaw-4.0.0.10 + *atompaw-3.0.1.9-r1 (17 Jun 2013) 17 Jun 2013; Honza Macháček diff --git a/sci-physics/atompaw/atompaw-4.0.0.10.ebuild b/sci-physics/atompaw/atompaw-4.0.0.10.ebuild new file mode 100644 index 000..216ef3a --- /dev/null +++ b/sci-physics/atompaw/atompaw-4.0.0.10.ebuild @@ -0,0 +1,69 @@ +# Copyright 1999-2014 Gentoo Foundation +# Distributed under the terms of the GNU General Public License v2 +# $Header: $ + +EAPI=5 + +inherit autotools-utils eutils fortran-2 multilib toolchain-funcs + +DESCRIPTION="PAW atomic data generator" +HOMEPAGE="http://www.wfu.edu/~natalie/papers/pwpaw/man.html"; +SRC_URI=" + http://www.wfu.edu/~natalie/papers/pwpaw/${P}.tar.gz + doc? ( + http://www.wfu.edu/~natalie/papers/pwpaw/atompaw.pdf + http://www.wfu.edu/~natalie/papers/pwpaw/notes/atompaw/atompawEqns.pdf )" + +LICENSE="GPL-2" +SLOT="0" +KEYWORDS="~amd64 ~x86" +IUSE="doc libxc longplot test" + +RDEPEND=" + virtual/blas + virtual/lapack + libxc? ( >=sci-libs/libxc-2.0.1[fortran] )" +DEPEND="${RDEPEND} + virtual/pkgconfig" + +DOCS=( README ) + +FORTRAN_STANDARD=90 + +src_unpack() { + unpack ${P}.tar.gz + if use doc; then + cp "${DISTDIR}"/atompaw.pdf "${DISTDIR}"/atompawEqns.pdf "${S}"/doc/ || die + fi +} + +src_prepare() { + use longplot && epatch "${FILESDIR}"/4.0-longplot.patch +} + +src_configure() { + local myeconfargs=( + $(use_enable libxc) + --with-linalg-flavor=atlas + --with-linalg-libs="$($(tc-getPKG_CONFIG) --libs lapack)" + --with-libxc-incs="-I/usr/include $($(tc-getPKG_CONFIG) --cflags libxc)" + --with-libxc-libs="$($(tc-getPKG_CONFIG) --libs libxc)" + FC="$(tc-getFC)" FCFLAGS="${FCFLAGS:- ${FFLAGS:- -O2}}" + CC="$(tc-getCC)" LDFLAGS="${LDFLAGS:- ${CFLAGS:- -O2}}" + ) + autotools-utils_src_configure +} + +src_compile() { + autotools-utils_src_compile -j1 +} + +src_test() { + use test && autotools-utils_src_test +} + +src_install() { + autotools-utils_src_install + + use doc && dodoc doc/atompaw.pdf doc/atompawEqns.pdf +} diff --git a/sci-physics/atompaw/files/4.0-longplot.patch b/sci-physics/atompaw/files/4.0-longplot.patch new file mode 100644 index 000..7ae14d1 --- /dev/null +++ b/sci-physics/atompaw/files/4.0-longplot.patch @@ -0,0 +1,42 @@ +diff -Naurp atompaw-4.0.0.10.orig/src/atompaw_report.F90 atompaw-4.0.0.10/src/atompaw_report.F90 +--- atompaw-4.0.0.10.orig/src/atompaw_report.F90 2014-08-21 19:55:18.0 + atompaw-4.0.0.10/src/atompaw_report.F902014-10-08 14:45:17.320341463 + +@@ -142,7 +142,7 @@ CONTAINS + OPEN(ifout,file='wfn'//TRIM(flnm),form='formatted') + WRITE(ifout,*) '# l=',PAW%l(io),'basis function with energy ',& + PAW%eig(io) +- DO i=1,irc+50 ++ DO i=1,n + WRITE(ifout,'(1p,5e12.4)') Grid%r(i),PAW%ophi(i,io),& + PAW%otphi(i,io),PAW%otp(i,io) + ENDDO +@@ -155,7 +155,7 @@ CONTAINS + OPEN(ifout,file='wfn00'//TRIM(flnm),form='formatted') + WRITE(ifout,*) '# l=',PAW%l(io),'basis function with energy ',& + PAW%eig(io) +- DO i=1,irc+50 ++ DO i=1,n + WRITE(ifout,'(1p,5e12.4)') Grid%r(i),PAW%phi(i,io),& + PAW%tphi(i,io),PAW%tp(i,io) + ENDDO +diff -Naurp atompaw-4.0.0.10.orig/src/pseudo.F90 atompaw-4.0.0.10/src/pseudo.F90 +--- atompaw-4.0.0.10.orig/src/pseudo.F90 2014-08-22 12:22:34.0 + atompaw-4.0.0.10/src/pseudo.F902014-10-08 14:45:47.528573288 +00