sci-chemistry/votca: drop 2022

Signed-off-by: Andreas Sturmlechner <asturm@gentoo.org>
This commit is contained in:
Andreas Sturmlechner
2024-03-07 14:53:40 +01:00
parent 5a805aa0a4
commit 3dfa73898c
2 changed files with 0 additions and 81 deletions

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DIST votca-2022.1.tar.gz 61692029 BLAKE2B c58023098f596d7c6f301e94883df3e442761b8c1009823ef5a07e788fabb2a0fa572326e0d614f8102104ef5dcec89505da1c911bb703126c123d2a25a2031e SHA512 dda5cbf1835440abd1b0b511275e10e5facfa9f133062ae082cca4f5654e4af0be0b574b87c70004c0d07920519927bac5620b89ce073de9985bdf792f0dd21a
DIST votca-2022.tar.gz 61688862 BLAKE2B a6a8d1c34e2cd992d032730b2669c9ac5489b988fc334f730eaf1a40b275cc2fad8b24f03419510fe9fee7b0ad0bedf43f9b22b44ca1ae0178b16c9b255da53c SHA512 ea5b7405872a2c0c8d6b4b86148a605b5e83207f1953f0b7393dabbb106ac785c50b45462f6271fbfad04c0246704a92199943acc65eb30d7f1a0a6d6ee4ab83

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# Copyright 1999-2023 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
EAPI=7
PYTHON_COMPAT=( python3_{9..10} )
inherit bash-completion-r1 cmake python-single-r1
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-${MY_PV}"
fi
DESCRIPTION="Versatile Object-oriented Toolkit for Coarse-graining Applications"
HOMEPAGE="https://www.votca.org/"
LICENSE="Apache-2.0"
SLOT="0"
IUSE="+gromacs test"
REQUIRED_USE="${PYTHON_REQUIRED_USE}"
RESTRICT="!test? ( test )"
RDEPEND="
!sci-libs/votca-tools
!sci-chemistry/votca-csg
!sci-chemistry/votca-xtp
${PYTHON_DEPS}
app-shells/bash:*
>=dev-cpp/eigen-3.3
dev-libs/boost:=
dev-libs/expat
sci-libs/fftw:3.0=
dev-lang/perl
gromacs? ( sci-chemistry/gromacs:=[gmxapi-legacy(+)] )
sci-libs/hdf5[cxx]
sci-libs/libxc
sci-libs/libint:2
"
DEPEND="${RDEPEND}"
BDEPEND="virtual/pkgconfig"
DOCS=( README.rst NOTICE.rst CHANGELOG.rst )
src_prepare() {
# espressopp was removed from gentoo
rm -r ./csg-tutorials/spce/ibi_espressopp || die
python_fix_shebang .
cmake_src_prepare
}
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
}
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
}