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Horea Christian 2019-05-04 21:56:18 +02:00
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sci-libs/libxc/Manifest Normal file
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DIST libxc-4.3.4.tar.gz 15602575 BLAKE2B 07d1b9be62344727b2b364ea7b6eb7abcb62a76cb5b17c3601847d0528a86d23762f17cdde383611b842b65342c81467af1896dbcf55569165e2be26aa348616 SHA512 9e364b27fe0bf903e5d08f5814130e2059a001a6ea08938221e20d87d0072d51177d0d21217a744c8f5828a7c88437dc624a9cf173a203783c96d2d681b71e82

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# Copyright 1999-2019 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
EAPI=7
inherit autotools fortran-2
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/down.php?file=libxc/${PV}/${P}.tar.gz"
LICENSE="MPL-2.0"
SLOT="0"
KEYWORDS="~amd64 ~x86 ~amd64-linux"
IUSE="fortran static-libs -test"
pkg_setup() {
use fortran && fortran-2_pkg_setup
}
src_prepare() {
default
eautoreconf
}
src_configure() {
econf --enable-shared \
$(use_enable fortran) \
$(use_enable static-libs static)
}
## 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 "${BUILD_DIR}" > /dev/null || die
make check || ewarn "Make check failed. See above for details."
einfo "emake check done"
popd > /dev/null || die
}
src_install() {
default
find "${ED%/}" -name '*.la' -type f -delete || die
if ! use fortran; then
rm "${ED%/}"/usr/$(get_libdir)/pkgconfig/libxcf{03,90}.pc || die
fi
}

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<?xml version="1.0" encoding="UTF-8"?>
<!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd">
<pkgmetadata>
<maintainer type="project">
<email>sci@gentoo.org</email>
<name>Gentoo Science Project</name>
</maintainer>
<maintainer type="person">
<email>Hloupy.Honza@centrum.cz</email>
<name>Honza Macháček</name>
</maintainer>
<longdescription lang="en">
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 MPL2 license.
Contributions are welcome.
</longdescription>
<upstream>
<doc>http://octopus-code.org/wiki/Libxc:manual</doc>
</upstream>
</pkgmetadata>