[gentoo-commits] proj/sci:master commit in: sci-libs/libxc/
commit: 241012d86ad3e7f835c95ff2c259da38589d6fb3 Author: Christoph Junghans gentoo org> AuthorDate: Tue Oct 2 12:59:40 2018 + Commit: Christoph Junghans gentoo org> CommitDate: Tue Oct 2 12:59:58 2018 + URL:https://gitweb.gentoo.org/proj/sci.git/commit/?id=241012d8 sci-libs/libxc: moved to gx86 Signed-off-by: Christoph Junghans gentoo.org> sci-libs/libxc/libxc-2.1.3.ebuild | 56 --- sci-libs/libxc/libxc-2.2.3.ebuild | 56 --- sci-libs/libxc/libxc-3.0.0.ebuild | 56 --- sci-libs/libxc/metadata.xml | 31 -- 4 files changed, 199 deletions(-) diff --git a/sci-libs/libxc/libxc-2.1.3.ebuild b/sci-libs/libxc/libxc-2.1.3.ebuild deleted file mode 100644 index 4ffe5fe89..0 --- a/sci-libs/libxc/libxc-2.1.3.ebuild +++ /dev/null @@ -1,56 +0,0 @@ -# Copyright 1999-2017 Gentoo Foundation -# Distributed under the terms of the GNU General Public License v2 - -EAPI=5 - -AUTOTOOLS_AUTORECONF=true - -inherit autotools-utils flag-o-matic fortran-2 multilib - -MY_P=${P//_/-} - -DESCRIPTION="A library of exchange-correlation functionals for use in DFT" -HOMEPAGE="http://octopus-code.org/wiki/Libxc; -SRC_URI="http://www.tddft.org/programs/octopus/download/${PN}/${P}.tar.gz; - -LICENSE="LGPL-3" -SLOT="0" -KEYWORDS="~amd64 ~x86 ~amd64-linux" -IUSE="fortran static-libs -test" - -S="${WORKDIR}"/${MY_P} - -pkg_setup() { - use fortran && fortran-2_pkg_setup -} - -src_prepare() { - sed \ - -e "s:${PN}.f90:${PN}.F90:g" \ - -i src/Makefile.am || die - autotools-utils_src_prepare -} - -src_configure() { - local myeconfargs=( $(use_enable fortran) ) - autotools-utils_src_configure -} - -## Upstream recommends not running the test suite because it requires -## human expert interpretation to determine whether output is an error or -## expected under certain circumstances. Nevertheless, experts might want the option. -# The autotools src_test function modified not to die. Runs emake check in build directory. -src_test() { - debug-print-function ${FUNCNAME} "$@" - - _check_build_dir - pushd "${BUILD_DIR}" > /dev/null || die - make check || ewarn "Make check failed. See above for details." - einfo "emake check done" - popd > /dev/null || die -} - -src_install() { - autotools-utils_src_install - -} diff --git a/sci-libs/libxc/libxc-2.2.3.ebuild b/sci-libs/libxc/libxc-2.2.3.ebuild deleted file mode 100644 index 4ffe5fe89..0 --- a/sci-libs/libxc/libxc-2.2.3.ebuild +++ /dev/null @@ -1,56 +0,0 @@ -# Copyright 1999-2017 Gentoo Foundation -# Distributed under the terms of the GNU General Public License v2 - -EAPI=5 - -AUTOTOOLS_AUTORECONF=true - -inherit autotools-utils flag-o-matic fortran-2 multilib - -MY_P=${P//_/-} - -DESCRIPTION="A library of exchange-correlation functionals for use in DFT" -HOMEPAGE="http://octopus-code.org/wiki/Libxc; -SRC_URI="http://www.tddft.org/programs/octopus/download/${PN}/${P}.tar.gz; - -LICENSE="LGPL-3" -SLOT="0" -KEYWORDS="~amd64 ~x86 ~amd64-linux" -IUSE="fortran static-libs -test" - -S="${WORKDIR}"/${MY_P} - -pkg_setup() { - use fortran && fortran-2_pkg_setup -} - -src_prepare() { - sed \ - -e "s:${PN}.f90:${PN}.F90:g" \ - -i src/Makefile.am || die - autotools-utils_src_prepare -} - -src_configure() { - local myeconfargs=( $(use_enable fortran) ) - autotools-utils_src_configure -} - -## Upstream recommends not running the test suite because it requires -## human expert interpretation to determine whether output is an error or -## expected under certain circumstances. Nevertheless, experts might want the option. -# The autotools src_test function modified not to die. Runs emake check in build directory. -src_test() { - debug-print-function ${FUNCNAME} "$@" - - _check_build_dir - pushd "${BUILD_DIR}" > /dev/null || die - make check || ewarn "Make check failed. See above for details." - einfo "emake check done" - popd > /dev/null || die -} - -src_install() { - autotools-utils_src_install - -} diff --git a/sci-libs/libxc/libxc-3.0.0.ebuild b/sci-libs/libxc/libxc-3.0.0.ebuild deleted file mode 100644 index 4ffe5fe89..0 --- a/sci-libs/libxc/libxc-3.0.0.ebuild +++ /dev/null @@ -1,56 +0,0 @@ -# Copyright 1999-2017 Gentoo Foundation -# Distributed under the terms of the GNU General Public License v2 - -EAPI=5 - -AUTOTOOLS_AUTORECONF=true - -inherit autotools-utils flag-o-matic fortran-2 multilib - -MY_P=${P//_/-} - -DESCRIPTION="A library of exchange-correlation functionals for use in DFT" -HOMEPAGE="http://octopus-code.org/wiki/Libxc; -SRC_URI="http://www.tddft.org/programs/octopus/download/${PN}/${P}.tar.gz; - -LICENSE="LGPL-3" -SLOT="0" -KEYWORDS="~amd64 ~x86 ~amd64-linux" -IUSE="fortran static-libs -test" -
[gentoo-commits] proj/sci:master commit in: sci-libs/libxc/
commit: 0b3b0e02bf6e7630c5b71b8f1f90bd547626c697 Author: Honza Macháček centrum cz> AuthorDate: Wed Jan 11 15:22:57 2017 + Commit: Honza Macháček centrum cz> CommitDate: Wed Jan 11 15:22:57 2017 + URL:https://gitweb.gentoo.org/proj/sci.git/commit/?id=0b3b0e02 Versions of sci-libs/libxc bumped to 2.1.3 (legacy monolitic library) and 2.2.3 (separate C, and F90 libraries). Added sci-libs/libxc-3.0.0 (separate C, F90, and F03 libraries). Package-Manager: Portage-2.3.2, Repoman-2.3.1 .../{libxc-2.1.2.ebuild => libxc-2.1.3.ebuild} | 4 ++-- .../{libxc-2.2.2.ebuild => libxc-2.2.3.ebuild} | 4 ++-- .../{libxc-2.1.2.ebuild => libxc-3.0.0.ebuild} | 4 ++-- sci-libs/libxc/metadata.xml| 23 ++ 4 files changed, 29 insertions(+), 6 deletions(-) diff --git a/sci-libs/libxc/libxc-2.1.2.ebuild b/sci-libs/libxc/libxc-2.1.3.ebuild similarity index 92% copy from sci-libs/libxc/libxc-2.1.2.ebuild copy to sci-libs/libxc/libxc-2.1.3.ebuild index cc3c091..a15d5cd 100644 --- a/sci-libs/libxc/libxc-2.1.2.ebuild +++ b/sci-libs/libxc/libxc-2.1.3.ebuild @@ -1,4 +1,4 @@ -# Copyright 1999-2015 Gentoo Foundation +# Copyright 1999-2017 Gentoo Foundation # Distributed under the terms of the GNU General Public License v2 # $Id$ @@ -11,7 +11,7 @@ inherit autotools-utils flag-o-matic fortran-2 multilib MY_P=${P//_/-} DESCRIPTION="A library of exchange-correlation functionals for use in DFT" -HOMEPAGE="http://www.tddft.org/programs/octopus/wiki/index.php/Libxc; +HOMEPAGE="http://octopus-code.org/wiki/Libxc; SRC_URI="http://www.tddft.org/programs/octopus/download/${PN}/${P}.tar.gz; LICENSE="LGPL-3" diff --git a/sci-libs/libxc/libxc-2.2.2.ebuild b/sci-libs/libxc/libxc-2.2.3.ebuild similarity index 92% rename from sci-libs/libxc/libxc-2.2.2.ebuild rename to sci-libs/libxc/libxc-2.2.3.ebuild index cc3c091..a15d5cd 100644 --- a/sci-libs/libxc/libxc-2.2.2.ebuild +++ b/sci-libs/libxc/libxc-2.2.3.ebuild @@ -1,4 +1,4 @@ -# Copyright 1999-2015 Gentoo Foundation +# Copyright 1999-2017 Gentoo Foundation # Distributed under the terms of the GNU General Public License v2 # $Id$ @@ -11,7 +11,7 @@ inherit autotools-utils flag-o-matic fortran-2 multilib MY_P=${P//_/-} DESCRIPTION="A library of exchange-correlation functionals for use in DFT" -HOMEPAGE="http://www.tddft.org/programs/octopus/wiki/index.php/Libxc; +HOMEPAGE="http://octopus-code.org/wiki/Libxc; SRC_URI="http://www.tddft.org/programs/octopus/download/${PN}/${P}.tar.gz; LICENSE="LGPL-3" diff --git a/sci-libs/libxc/libxc-2.1.2.ebuild b/sci-libs/libxc/libxc-3.0.0.ebuild similarity index 92% rename from sci-libs/libxc/libxc-2.1.2.ebuild rename to sci-libs/libxc/libxc-3.0.0.ebuild index cc3c091..a15d5cd 100644 --- a/sci-libs/libxc/libxc-2.1.2.ebuild +++ b/sci-libs/libxc/libxc-3.0.0.ebuild @@ -1,4 +1,4 @@ -# Copyright 1999-2015 Gentoo Foundation +# Copyright 1999-2017 Gentoo Foundation # Distributed under the terms of the GNU General Public License v2 # $Id$ @@ -11,7 +11,7 @@ inherit autotools-utils flag-o-matic fortran-2 multilib MY_P=${P//_/-} DESCRIPTION="A library of exchange-correlation functionals for use in DFT" -HOMEPAGE="http://www.tddft.org/programs/octopus/wiki/index.php/Libxc; +HOMEPAGE="http://octopus-code.org/wiki/Libxc; SRC_URI="http://www.tddft.org/programs/octopus/download/${PN}/${P}.tar.gz; LICENSE="LGPL-3" diff --git a/sci-libs/libxc/metadata.xml b/sci-libs/libxc/metadata.xml index 8425c0d..b667145 100644 --- a/sci-libs/libxc/metadata.xml +++ b/sci-libs/libxc/metadata.xml @@ -5,4 +5,27 @@ s...@gentoo.org Gentoo Science Project + +hloupy.ho...@centrum.cz +Honza Macháček + + +Libxc is a library of exchange-correlation functionals for density-functional theory. +The aim is to provide a portable, well tested and reliable set of exchange and correlation +functionals that can be used by all the ETSF codes and also other codes. + +In Libxc you can find different types of functionals: LDA, GGA, hybrids, and mGGA (experimental). +These functionals depend on local information, in the sense that the value of the potential +at a given point depends only on the values of the density -- and the gradient of the density +and the kinetic energy density, for the GGA and mGGA cases. + +It can calculate the functional itself and its derivative; for some functionals, +higher-order derivatives are available. + +Libxc is written in C and has Fortran bindings. It is released under the LGPL license (v. 3.0). +Contributions are welcome. + + +http://octopus-code.org/wiki/Libxc:manual +
[gentoo-commits] proj/sci:master commit in: sci-libs/libxc/
commit: cf6644eec2be3dd1575c05512386612ba8d7f9c3 Author: Honza Macháček Hloupy.Honza AT centrum DOT cz AuthorDate: Wed Apr 22 14:36:30 2015 + Commit: Honza Macháček Hloupy.Honza AT centrum DOT cz CommitDate: Wed Apr 22 14:36:30 2015 + URL:https://gitweb.gentoo.org/proj/sci.git/commit/?id=cf6644ee Version bump to sci-libs/libxc-2.1.2 and 2.2.2 pair Package-Manager: portage-2.2.18 sci-libs/libxc/ChangeLog | 9 - sci-libs/libxc/{libxc-2.1.1.ebuild = libxc-2.1.2.ebuild} | 2 +- sci-libs/libxc/{libxc-2.2.1.ebuild = libxc-2.2.2.ebuild} | 2 +- 3 files changed, 10 insertions(+), 3 deletions(-) diff --git a/sci-libs/libxc/ChangeLog b/sci-libs/libxc/ChangeLog index 3a0421d..5246c8b 100644 --- a/sci-libs/libxc/ChangeLog +++ b/sci-libs/libxc/ChangeLog @@ -1,7 +1,14 @@ # ChangeLog for sci-libs/libxc -# Copyright 1999-2014 Gentoo Foundation; Distributed under the GPL v2 +# Copyright 1999-2015 Gentoo Foundation; Distributed under the GPL v2 # $Header: $ +*libxc-2.2.2 (22 Apr 2015) +*libxc-2.1.2 (22 Apr 2015) + + 22 Apr 2015; Honza Macháček hloupy.ho...@centrum.cz -libxc-2.1.1.ebuild, + +libxc-2.1.2.ebuild, -libxc-2.2.1.ebuild, +libxc-2.2.2.ebuild: + Version bump to sci-libs/libxc-2.1.2 and 2.2.2 pair + *libxc-2.2.1 (10 Dec 2014) *libxc-2.1.1 (10 Dec 2014) diff --git a/sci-libs/libxc/libxc-2.1.1.ebuild b/sci-libs/libxc/libxc-2.1.2.ebuild similarity index 97% rename from sci-libs/libxc/libxc-2.1.1.ebuild rename to sci-libs/libxc/libxc-2.1.2.ebuild index 60a6549..e6a7572 100644 --- a/sci-libs/libxc/libxc-2.1.1.ebuild +++ b/sci-libs/libxc/libxc-2.1.2.ebuild @@ -1,4 +1,4 @@ -# Copyright 1999-2014 Gentoo Foundation +# Copyright 1999-2015 Gentoo Foundation # Distributed under the terms of the GNU General Public License v2 # $Header: $ diff --git a/sci-libs/libxc/libxc-2.2.1.ebuild b/sci-libs/libxc/libxc-2.2.2.ebuild similarity index 97% rename from sci-libs/libxc/libxc-2.2.1.ebuild rename to sci-libs/libxc/libxc-2.2.2.ebuild index 60a6549..e6a7572 100644 --- a/sci-libs/libxc/libxc-2.2.1.ebuild +++ b/sci-libs/libxc/libxc-2.2.2.ebuild @@ -1,4 +1,4 @@ -# Copyright 1999-2014 Gentoo Foundation +# Copyright 1999-2015 Gentoo Foundation # Distributed under the terms of the GNU General Public License v2 # $Header: $
[gentoo-commits] proj/sci:master commit in: sci-libs/libxc/
commit: d3492ecb4d54ca11f65d74b73daa975f6cba2376 Author: Honza Macháček Hloupy.Honza AT centrum DOT cz AuthorDate: Wed Dec 10 15:24:47 2014 + Commit: Honza Macháček Hloupy.Honza AT centrum DOT cz CommitDate: Wed Dec 10 15:24:47 2014 + URL:http://sources.gentoo.org/gitweb/?p=proj/sci.git;a=commit;h=d3492ecb Version bumps of sci-libs/libxc to versions 2.1.1 and 2.2.1, cleanup. Package-Manager: portage-2.2.14 --- sci-libs/libxc/ChangeLog | 9 sci-libs/libxc/libxc-1.2.0-r1.ebuild | 55 --- sci-libs/libxc/libxc-2.0.1.ebuild | 59 sci-libs/libxc/libxc-2.0.2.ebuild | 59 sci-libs/libxc/libxc-2.0.3.ebuild | 63 -- .../{libxc-2.2.0.ebuild = libxc-2.1.1.ebuild} | 2 - .../{libxc-2.1.0.ebuild = libxc-2.2.1.ebuild} | 2 - sci-libs/libxc/libxc-.ebuild | 51 -- 8 files changed, 9 insertions(+), 291 deletions(-) diff --git a/sci-libs/libxc/ChangeLog b/sci-libs/libxc/ChangeLog index 3e0060f..3a0421d 100644 --- a/sci-libs/libxc/ChangeLog +++ b/sci-libs/libxc/ChangeLog @@ -2,6 +2,15 @@ # Copyright 1999-2014 Gentoo Foundation; Distributed under the GPL v2 # $Header: $ +*libxc-2.2.1 (10 Dec 2014) +*libxc-2.1.1 (10 Dec 2014) + + 10 Dec 2014; Honza Macháček hloupy.ho...@centrum.cz + -libxc-1.2.0-r1.ebuild, -libxc-2.0.1.ebuild, -libxc-2.0.2.ebuild, + -libxc-2.0.3.ebuild, -libxc-2.1.0.ebuild, +libxc-2.1.1.ebuild, + -libxc-2.2.0.ebuild, +libxc-2.2.1.ebuild, -libxc-.ebuild: + Version bumps to sci-libs/libxc-2.1.1 and 2.2.1, cleanup. + 27 Jun 2014; Honza Macháček hloupy.ho...@centrum.cz libxc-2.0.3.ebuild: sci-libs/libxc-2.0.3.ebuild adjusted to export the C preprocessor name in the FCCPP variable that the build system looks for diff --git a/sci-libs/libxc/libxc-1.2.0-r1.ebuild b/sci-libs/libxc/libxc-1.2.0-r1.ebuild deleted file mode 100644 index ba723df..000 --- a/sci-libs/libxc/libxc-1.2.0-r1.ebuild +++ /dev/null @@ -1,55 +0,0 @@ -# Copyright 1999-2014 Gentoo Foundation -# Distributed under the terms of the GNU General Public License v2 -# $Header: $ - -EAPI=5 - -inherit autotools-utils fortran-2 multilib - -MY_P=${P//_/-} - -DESCRIPTION=A library of exchange-correlation functionals for use in DFT -HOMEPAGE=http://www.tddft.org/programs/octopus/wiki/index.php/Libxc; -SRC_URI=http://www.tddft.org/programs/octopus/download/${PN}/${P}.tar.gz; - -LICENSE=LGPL-3 -SLOT=0 -KEYWORDS=~amd64 ~x86 ~amd64-linux -IUSE=fortran static-libs -test - -S=${WORKDIR}/${MY_P} - -MAKEOPTS+= -j1 - -pkg_setup() { - use fortran fortran-2_pkg_setup -} - -src_configure() { - local myeconfargs=( - $(use_enable fortran) - FCFLAGS=${FCFLAGS:- ${FFLAGS:- -O2}} -fPIC - CFLAGS=${CFLAGS} -fPIC - ) - autotools-utils_src_configure -} - -## Upstream recommends not running the test suite because it requires -## human expert interpretation to determine whether output is an error or -## expected under certain circumstances. -# The autotools src_test function modified not to die. Runs emake check in build directory. -src_test() { - debug-print-function ${FUNCNAME} $@ - - _check_build_dir - pushd ${BUILD_DIR} /dev/null || die - ewarn This will fail if any test fails, no matter how dealt with in the ebuild. - make check || ewarn Make check failed. See above for details. - einfo emake check done - popd /dev/null || die -} - -src_install() { - autotools-utils_src_install - -} diff --git a/sci-libs/libxc/libxc-2.0.1.ebuild b/sci-libs/libxc/libxc-2.0.1.ebuild deleted file mode 100644 index b794ff9..000 --- a/sci-libs/libxc/libxc-2.0.1.ebuild +++ /dev/null @@ -1,59 +0,0 @@ -# Copyright 1999-2014 Gentoo Foundation -# Distributed under the terms of the GNU General Public License v2 -# $Header: $ - -EAPI=5 - -AUTOTOOLS_AUTORECONF=true - -inherit autotools-utils flag-o-matic fortran-2 multilib - -MY_P=${P//_/-} - -DESCRIPTION=A library of exchange-correlation functionals for use in DFT -HOMEPAGE=http://www.tddft.org/programs/octopus/wiki/index.php/Libxc; -SRC_URI=http://www.tddft.org/programs/octopus/download/${PN}/${P}.tar.gz; - -LICENSE=LGPL-3 -SLOT=0 -KEYWORDS=~amd64 ~x86 ~amd64-linux -IUSE=fortran static-libs -test - -S=${WORKDIR}/${MY_P} - -MAKEOPTS+= -j1 - -pkg_setup() { - use fortran fortran-2_pkg_setup -} - -src_prepare() { - sed \ - -e s:${PN}.f90:${PN}.F90:g \ - -i src/Makefile.am || die - autotools-utils_src_prepare -} - -src_configure() { - local myeconfargs=( $(use_enable fortran) ) - autotools-utils_src_configure -} - -## Upstream recommends not running the test suite because it requires -## human expert interpretation to determine whether output is an error or -## expected under certain
[gentoo-commits] proj/sci:master commit in: sci-libs/libxc/
commit: 19fa3acf1a13dcc5336f564b024fd2bed6b67357 Author: Honza Macháček Hloupy.Honza AT centrum DOT cz AuthorDate: Fri Jun 27 13:01:42 2014 + Commit: Honza Macháček Hloupy.Honza AT centrum DOT cz CommitDate: Fri Jun 27 13:01:42 2014 + URL: http://git.overlays.gentoo.org/gitweb/?p=proj/sci.git;a=commit;h=19fa3acf sci-libs/libxc-2.0.3.ebuild adjusted to export the C preprocessor name in the FCCPP variable that the build system looks for Package-Manager: portage-2.2.10 --- sci-libs/libxc/ChangeLog | 4 sci-libs/libxc/libxc-2.0.3.ebuild | 6 +- 2 files changed, 9 insertions(+), 1 deletion(-) diff --git a/sci-libs/libxc/ChangeLog b/sci-libs/libxc/ChangeLog index d1e4742..3e0060f 100644 --- a/sci-libs/libxc/ChangeLog +++ b/sci-libs/libxc/ChangeLog @@ -2,6 +2,10 @@ # Copyright 1999-2014 Gentoo Foundation; Distributed under the GPL v2 # $Header: $ + 27 Jun 2014; Honza Macháček hloupy.ho...@centrum.cz libxc-2.0.3.ebuild: + sci-libs/libxc-2.0.3.ebuild adjusted to export the C preprocessor name in the + FCCPP variable that the build system looks for + *libxc-2.2.0 (15 Apr 2014) *libxc-2.1.0 (15 Apr 2014) *libxc-2.0.3 (15 Apr 2014) diff --git a/sci-libs/libxc/libxc-2.0.3.ebuild b/sci-libs/libxc/libxc-2.0.3.ebuild index b794ff9..e9103df 100644 --- a/sci-libs/libxc/libxc-2.0.3.ebuild +++ b/sci-libs/libxc/libxc-2.0.3.ebuild @@ -24,7 +24,11 @@ S=${WORKDIR}/${MY_P} MAKEOPTS+= -j1 pkg_setup() { - use fortran fortran-2_pkg_setup + if use fortran; then + fortran-2_pkg_setup + tc-export FC F77 CC CXX CPP + export FCCPP=$(tc-getCPP) + fi } src_prepare() {