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sci-libs/libxc/Manifest
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sci-libs/libxc/Manifest
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DIST libxc-4.3.4.tar.gz 15602575 BLAKE2B 07d1b9be62344727b2b364ea7b6eb7abcb62a76cb5b17c3601847d0528a86d23762f17cdde383611b842b65342c81467af1896dbcf55569165e2be26aa348616 SHA512 9e364b27fe0bf903e5d08f5814130e2059a001a6ea08938221e20d87d0072d51177d0d21217a744c8f5828a7c88437dc624a9cf173a203783c96d2d681b71e82
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sci-libs/libxc/libxc-4.3.4.ebuild
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sci-libs/libxc/libxc-4.3.4.ebuild
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# Copyright 1999-2019 Gentoo Authors
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# Distributed under the terms of the GNU General Public License v2
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EAPI=7
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inherit autotools fortran-2
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DESCRIPTION="A library of exchange-correlation functionals for use in DFT"
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HOMEPAGE="http://octopus-code.org/wiki/Libxc"
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SRC_URI="http://www.tddft.org/programs/octopus/down.php?file=libxc/${PV}/${P}.tar.gz"
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LICENSE="MPL-2.0"
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SLOT="0"
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KEYWORDS="~amd64 ~x86 ~amd64-linux"
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IUSE="fortran static-libs -test"
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pkg_setup() {
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use fortran && fortran-2_pkg_setup
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}
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src_prepare() {
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default
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eautoreconf
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}
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src_configure() {
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econf --enable-shared \
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$(use_enable fortran) \
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$(use_enable static-libs static)
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}
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## Upstream recommends not running the test suite because it requires
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## human expert interpretation to determine whether output is an error or
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## expected under certain circumstances. Nevertheless, experts might want the option.
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# The autotools src_test function modified not to die. Runs emake check in build directory.
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src_test() {
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debug-print-function ${FUNCNAME} "$@"
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_check_build_dir
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pushd "${BUILD_DIR}" > /dev/null || die
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make check || ewarn "Make check failed. See above for details."
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einfo "emake check done"
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popd > /dev/null || die
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}
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src_install() {
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default
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find "${ED%/}" -name '*.la' -type f -delete || die
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if ! use fortran; then
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rm "${ED%/}"/usr/$(get_libdir)/pkgconfig/libxcf{03,90}.pc || die
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fi
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}
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sci-libs/libxc/metadata.xml
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sci-libs/libxc/metadata.xml
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<?xml version="1.0" encoding="UTF-8"?>
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<!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd">
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<pkgmetadata>
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<maintainer type="project">
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<email>sci@gentoo.org</email>
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<name>Gentoo Science Project</name>
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</maintainer>
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<maintainer type="person">
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<email>Hloupy.Honza@centrum.cz</email>
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<name>Honza Macháček</name>
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</maintainer>
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<longdescription lang="en">
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Libxc is a library of exchange-correlation functionals for density-functional theory.
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The aim is to provide a portable, well tested and reliable set of exchange and correlation
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functionals that can be used by all the ETSF codes and also other codes.
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In Libxc you can find different types of functionals: LDA, GGA, hybrids, and mGGA (experimental).
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These functionals depend on local information, in the sense that the value of the potential
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at a given point depends only on the values of the density -- and the gradient of the density
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and the kinetic energy density, for the GGA and mGGA cases.
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It can calculate the functional itself and its derivative; for some functionals,
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higher-order derivatives are available.
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Libxc is written in C and has Fortran bindings. It is released under the MPL2 license.
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Contributions are welcome.
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</longdescription>
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<upstream>
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<doc>http://octopus-code.org/wiki/Libxc:manual</doc>
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</upstream>
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</pkgmetadata>
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