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Diffstat (limited to 'sci-chemistry/votca-csg/votca-csg-2021.2.ebuild')
-rw-r--r-- | sci-chemistry/votca-csg/votca-csg-2021.2.ebuild | 87 |
1 files changed, 87 insertions, 0 deletions
diff --git a/sci-chemistry/votca-csg/votca-csg-2021.2.ebuild b/sci-chemistry/votca-csg/votca-csg-2021.2.ebuild new file mode 100644 index 000000000000..eb83c3f2c7a6 --- /dev/null +++ b/sci-chemistry/votca-csg/votca-csg-2021.2.ebuild @@ -0,0 +1,87 @@ +# Copyright 1999-2021 Gentoo Authors +# Distributed under the terms of the GNU General Public License v2 + +EAPI=7 + +inherit bash-completion-r1 cmake + +if [[ ${PV} == *9999 ]]; then + inherit git-r3 + EGIT_REPO_URI="https://github.com/${PN/-//}.git" +else + SRC_URI="https://github.com/${PN/-//}/archive/v${PV}.tar.gz -> ${P}.tar.gz + examples? ( https://github.com/${PN/-//}-tutorials/archive/v${PV}.tar.gz -> ${PN}-tutorials-${PV}.tar.gz )" + KEYWORDS="~amd64 ~x86 ~amd64-linux" + S="${WORKDIR}/${P#votca-}" +fi + +DESCRIPTION="Votca coarse-graining engine" +HOMEPAGE="https://www.votca.org/" + +LICENSE="Apache-2.0" +SLOT="0" +IUSE="examples extras +gromacs hdf5 test" +RESTRICT="!test? ( test )" + +RDEPEND=" + app-shells/bash:* + >=dev-cpp/eigen-3.3 + dev-lang/perl + ~sci-libs/votca-tools-${PV} + gromacs? ( sci-chemistry/gromacs:= ) + hdf5? ( sci-libs/hdf5 ) +" +DEPEND="${RDEPEND}" +BDEPEND=" + >=app-text/txt2tags-2.5 + virtual/pkgconfig +" + +DOCS=( README.rst NOTICE.rst CHANGELOG.rst ) + +src_unpack() { + if [[ ${PV} == *9999 ]]; then + git-r3_src_unpack + if use examples; then + EGIT_REPO_URI="https://github.com/${PN/-//}-tutorials.git" + EGIT_BRANCH="master" + EGIT_CHECKOUT_DIR="${WORKDIR}/${PN#votca-}-tutorials" \ + git-r3_src_unpack + fi + else + default + fi +} + +src_configure() { + local mycmakeargs=( + -DCMAKE_DISABLE_FIND_PACKAGE_GROMACS=$(usex !gromacs) + -DCMAKE_DISABLE_FIND_PACKAGE_HDF5=$(usex !hdf5) + -DBUILD_CSGAPPS=$(usex extras) + -DENABLE_TESTING=$(usex test) + ) + cmake_src_configure +} + +src_install() { + cmake_src_install + newbashcomp "${ED}"/usr/share/votca/rc/csg-completion.bash csg_call + for i in "${ED}"/usr/bin/csg_*; do + [[ ${i} = *csg_call ]] && continue + bashcomp_alias csg_call "${i##*/}" + done + if use examples; then + insinto "/usr/share/doc/${PF}/tutorials" + docompress -x "/usr/share/doc/${PF}/tutorials" + rm -rf "${WORKDIR}/${PN#votca-}"-tutorials*/CMake* + doins -r "${WORKDIR}/${PN#votca-}"-tutorials*/* + fi +} + +pkg_postinst() { + einfo + einfo "Please read and cite:" + einfo "VOTCA, J. Chem. Theory Comput. 5, 3211 (2009). " + einfo "https://dx.doi.org/10.1021/ct900369w" + einfo +} |