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Package-Manager: Portage-3.0.28, Repoman-3.0.3 Signed-off-by: Christoph Junghans <[email protected]>
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DIST votca-2022.tar.gz 61688862 BLAKE2B a6a8d1c34e2cd992d032730b2669c9ac5489b988fc334f730eaf1a40b275cc2fad8b24f03419510fe9fee7b0ad0bedf43f9b22b44ca1ae0178b16c9b255da53c SHA512 ea5b7405872a2c0c8d6b4b86148a605b5e83207f1953f0b7393dabbb106ac785c50b45462f6271fbfad04c0246704a92199943acc65eb30d7f1a0a6d6ee4ab83 | ||
DIST votca-2022_rc2.tar.gz 61692061 BLAKE2B 9fdf016267ff6657bfbbd51c79c2c38cb7064635d26e80b905eeeb8326ca1780f7a9c711802491f3ec7a216dbd53b86fe08da2c969a6a10db110168a02ac0d0f SHA512 3bfd108df7499c21ad290955672ab042b9a11b7a868f0eb49fdbd94365e35ed7ffc8b8b44c9b7dd74b7504b8fd30cc6bacfed443068f2bb3702e272aad26c961 |
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# Copyright 1999-2022 Gentoo Authors | ||
# Distributed under the terms of the GNU General Public License v2 | ||
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EAPI=7 | ||
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inherit bash-completion-r1 cmake | ||
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if [[ ${PV} == *9999 ]]; then | ||
inherit git-r3 | ||
EGIT_REPO_URI="https://github.com/votca/votca.git" | ||
else | ||
if [[ ${PV} = *_rc[1-9] ]]; then | ||
MY_PV="${PV%%_rc*}-rc.${PV##*_rc}" | ||
else | ||
MY_PV="${PV}" | ||
fi | ||
SRC_URI="https://github.com/votca/votca/archive/v${MY_PV}.tar.gz -> ${P}.tar.gz" | ||
KEYWORDS="~amd64 ~x86 ~amd64-linux" | ||
S="${WORKDIR}/votca-${MY_PV}" | ||
fi | ||
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DESCRIPTION="Versatile Object-oriented Toolkit for Coarse-graining Applications" | ||
HOMEPAGE="https://www.votca.org/" | ||
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LICENSE="Apache-2.0" | ||
SLOT="0" | ||
IUSE="+gromacs test" | ||
RESTRICT="!test? ( test )" | ||
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RDEPEND=" | ||
!sci-libs/votca-tools | ||
!sci-chemistry/votca-csg | ||
!sci-chemistry/votca-xtp | ||
app-shells/bash:* | ||
>=dev-cpp/eigen-3.3 | ||
dev-libs/boost:= | ||
dev-libs/expat | ||
sci-libs/fftw:3.0= | ||
dev-lang/perl | ||
gromacs? ( sci-chemistry/gromacs:= ) | ||
sci-libs/hdf5[cxx] | ||
sci-libs/libxc | ||
sci-libs/libint:2 | ||
" | ||
DEPEND="${RDEPEND}" | ||
BDEPEND="virtual/pkgconfig" | ||
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DOCS=( README.rst NOTICE.rst CHANGELOG.rst ) | ||
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src_configure() { | ||
local mycmakeargs=( | ||
-DENABLE_TESTING=$(usex test) | ||
-DCMAKE_DISABLE_FIND_PACKAGE_GROMACS=$(usex !gromacs) | ||
-DBUILD_CSGAPPS=ON | ||
-DINSTALL_RC_FILES=OFF | ||
-DCMAKE_DISABLE_FIND_PACKAGE_MKL=ON | ||
) | ||
cmake_src_configure | ||
} | ||
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pkg_postinst() { | ||
einfo | ||
einfo "Please read and cite:" | ||
einfo "VOTCA-XTP, J. Chem. Theo. Comp. 14, 6353 (2018)" | ||
einfo "https://doi.org/10.1021/acs.jctc.8b00617" | ||
einfo | ||
einfo "VOTCA, J. Chem. Theory Comput. 5, 3211 (2009). " | ||
einfo "https://dx.doi.org/10.1021/ct900369w" | ||
einfo | ||
} |