From 957235cf19a691360c720f7913672adda4258ed0 Mon Sep 17 00:00:00 2001 From: V3n3RiX Date: Sun, 7 Oct 2018 11:03:14 +0100 Subject: gentoo resync : 07.10.2018 --- sci-libs/libxc/Manifest | 7 +++++ 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 ++++++++++++++++++++++ 5 files changed, 206 insertions(+) create mode 100644 sci-libs/libxc/Manifest create mode 100644 sci-libs/libxc/libxc-2.1.3.ebuild create mode 100644 sci-libs/libxc/libxc-2.2.3.ebuild create mode 100644 sci-libs/libxc/libxc-3.0.0.ebuild create mode 100644 sci-libs/libxc/metadata.xml (limited to 'sci-libs/libxc') diff --git a/sci-libs/libxc/Manifest b/sci-libs/libxc/Manifest new file mode 100644 index 000000000000..13360a9aafea --- /dev/null +++ b/sci-libs/libxc/Manifest @@ -0,0 +1,7 @@ +DIST libxc-2.1.3.tar.gz 750044 BLAKE2B 6d6bb348bd8f7e25d6a3857fc40f0d7d3a7fe22c0a0514ca9f0ca60aadd67fde65b6052bc04e076a6328841c7ebe154921937083b8e9e2b9e55a5bcf197d08d0 SHA512 6cc7e4cb9b6187d3f7be9bca0aa574a1e0807db47201bee271d651e23c34ff7f00590cbe2ab1a6c399735e55d088a27e5b3456af6df46817137b3e6857c1c221 +DIST libxc-2.2.3.tar.gz 734714 BLAKE2B c5c4c3aec3373b8b481de8ec1779366b6916899e0b77964cbde0e83904b351e009b14a3ff64e9f020640e6ebf68d78828615b8abf83a46fdf86ea16480083643 SHA512 bfcd88c1946e459227e9b1a32c513f0e68ae7a5497925ac6e692085542526ebad9fe2cd5722077c839c06dbaaceca601c7f615ee6936e638eb150a9d68278d5a +DIST libxc-3.0.0.tar.gz 8388775 BLAKE2B e82a7310c583c39b6c2313668a5d3a3d5ae7bf71ad450e9ac6241d1601bf1bb429abf98787f7e0c3c252e881c381b895e277d18619b57c46f2f910d7e079941c SHA512 42173341f917c2aed6954f76885d2a9149d7212d2525becf77072b9878753c28d752b5cf6b2c79c90a88d8aa033f0aa94fa9753eb67108e9325cee6919cece52 +EBUILD libxc-2.1.3.ebuild 1400 BLAKE2B ccf6c433ccfb77c19b49ddef89b53db5eaee87f8204e66e94752be41e26940fce8e45c9af73374ea04ae8a27353366be778859dd6b8f2f4c8c7f39e83262b660 SHA512 ed74981ed5f5ab997e4bf34145be37aee881355a8dc60cae8e86561bb7b9f64b2926ba491e826d4d76fb11f51dfd01a63f9da7f50e73f2825d34a32360d2a14e +EBUILD libxc-2.2.3.ebuild 1400 BLAKE2B ccf6c433ccfb77c19b49ddef89b53db5eaee87f8204e66e94752be41e26940fce8e45c9af73374ea04ae8a27353366be778859dd6b8f2f4c8c7f39e83262b660 SHA512 ed74981ed5f5ab997e4bf34145be37aee881355a8dc60cae8e86561bb7b9f64b2926ba491e826d4d76fb11f51dfd01a63f9da7f50e73f2825d34a32360d2a14e +EBUILD libxc-3.0.0.ebuild 1400 BLAKE2B ccf6c433ccfb77c19b49ddef89b53db5eaee87f8204e66e94752be41e26940fce8e45c9af73374ea04ae8a27353366be778859dd6b8f2f4c8c7f39e83262b660 SHA512 ed74981ed5f5ab997e4bf34145be37aee881355a8dc60cae8e86561bb7b9f64b2926ba491e826d4d76fb11f51dfd01a63f9da7f50e73f2825d34a32360d2a14e +MISC metadata.xml 1339 BLAKE2B 4c98e1fa7345593b8f160ba4ad84ea3a5eb321437715137e94a1926b92a53ce87c41b27e8fd0edb5c479293e24f9049956100f0070ae7a27550144ff697b63ac SHA512 95e03f10949c2a2350063cc1666bc232f166b10669f5b1d050da91b6119b8280d69aca0f35527ab938c71666bb78019640426ab0acab18bd335e6fff2345e128 diff --git a/sci-libs/libxc/libxc-2.1.3.ebuild b/sci-libs/libxc/libxc-2.1.3.ebuild new file mode 100644 index 000000000000..527f29e46918 --- /dev/null +++ b/sci-libs/libxc/libxc-2.1.3.ebuild @@ -0,0 +1,56 @@ +# Copyright 1999-2018 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 "${BUILD_DIR}" > /dev/null || die + make check || ewarn "Make check failed. See above for details." + einfo "emake check done" + popd > /dev/null || die +} + +src_install() { + autotools-utils_src_install + +} diff --git a/sci-libs/libxc/libxc-2.2.3.ebuild b/sci-libs/libxc/libxc-2.2.3.ebuild new file mode 100644 index 000000000000..527f29e46918 --- /dev/null +++ b/sci-libs/libxc/libxc-2.2.3.ebuild @@ -0,0 +1,56 @@ +# Copyright 1999-2018 Gentoo Foundation +# Distributed under the terms of the GNU General Public License v2 + +EAPI=5 + +AUTOTOOLS_AUTORECONF=true + +inherit autotools-utils flag-o-matic fortran-2 multilib + +MY_P=${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 "${BUILD_DIR}" > /dev/null || die + make check || ewarn "Make check failed. See above for details." + einfo "emake check done" + popd > /dev/null || die +} + +src_install() { + autotools-utils_src_install + +} diff --git a/sci-libs/libxc/libxc-3.0.0.ebuild b/sci-libs/libxc/libxc-3.0.0.ebuild new file mode 100644 index 000000000000..527f29e46918 --- /dev/null +++ b/sci-libs/libxc/libxc-3.0.0.ebuild @@ -0,0 +1,56 @@ +# Copyright 1999-2018 Gentoo Foundation +# Distributed under the terms of the GNU General Public License v2 + +EAPI=5 + +AUTOTOOLS_AUTORECONF=true + +inherit autotools-utils flag-o-matic fortran-2 multilib + +MY_P=${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/metadata.xml b/sci-libs/libxc/metadata.xml new file mode 100644 index 000000000000..064923854d28 --- /dev/null +++ b/sci-libs/libxc/metadata.xml @@ -0,0 +1,31 @@ + + + + + sci@gentoo.org + Gentoo Science Project + + + Hloupy.Honza@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 + + -- cgit v1.2.3