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| author |   Christoph Junghans <junghans@gentoo.org> | 2021-07-18 17:23:40 -0600 |
|---|---|---|
| committer | Christoph Junghans <junghans@gentoo.org> | 2021-07-18 17:24:21 -0600 |
| commit | 38b1dd6acd75f5b5115f74e5c224f54ddbed131c (patch) | |
| tree | 3bbadb5b4780162f0e47c624c15a67d3264a0afa /sci-chemistry | |
| parent | sci-chemistry/votca-csg: version bump (diff) | |
| download | gentoo-38b1dd6acd75f5b5115f74e5c224f54ddbed131c.tar.gz gentoo-38b1dd6acd75f5b5115f74e5c224f54ddbed131c.tar.bz2 gentoo-38b1dd6acd75f5b5115f74e5c224f54ddbed131c.zip | |
sci-chemistry/votca-xtp: version bump
Package-Manager: Portage-3.0.20, Repoman-3.0.2
Signed-off-by: Christoph Junghans <junghans@gentoo.org>
Diffstat (limited to 'sci-chemistry')
| -rw-r--r-- | sci-chemistry/votca-xtp/Manifest | 1 | ||||
| -rw-r--r-- | sci-chemistry/votca-xtp/votca-xtp-2021.1.ebuild | 51 | ||||
| -rw-r--r-- | sci-chemistry/votca-xtp/votca-xtp-9999.ebuild | 1 |
3 files changed, 53 insertions, 0 deletions
diff --git a/sci-chemistry/votca-xtp/Manifest b/sci-chemistry/votca-xtp/Manifest index 9c68f44fdff3..0d13f9eb9840 100644 --- a/sci-chemistry/votca-xtp/Manifest +++ b/sci-chemistry/votca-xtp/Manifest @@ -1,2 +1,3 @@ DIST votca-xtp-1.6.4.tar.gz 1405299 BLAKE2B 9d4e9d3f87e0c6be886df77bf52f9d8c0b4010fb1d77621a51b739986f3f5d70c85637c0d7b4d6a8a06d7dfc7e70ff5491bdc833a1b9da6fe1e8a9742a82d220 SHA512 f35e9605f4ac92547c801b254de792b5c3bf40200e8636869467997412357251df08f88ad851bc76cb0ba15428f06f28dbd4f64043a7612273468c8d653e52af +DIST votca-xtp-2021.1.tar.gz 2192322 BLAKE2B 8b15f17e1287249ff383fc2b66b5d37c7f78bac071ea6cc2f902811ab56cded26db764cd204371d5bebca55dfce73d840d680a4c62bc458a6cf55955d783a666 SHA512 ad0190f3e9235aec9c6db4ea16de7cd0daad96ff9836821672b46dcf098ed3bc1cdbb98ccf4b495dab172d1c1a971580eef8dbf341a2067964f684871ca6277f DIST votca-xtp-2021.tar.gz 2192166 BLAKE2B bcacdfe92b8c9fbbe2fe949d7096c09928ef7ece3cc4e40adbf58f2894036588762f9905bce1a1595bea99d1dfb8bcd99f395bed2ce7b94eeaf51b1c33719558 SHA512 1444fd0a64a684fd2b1327a9c3af067ea812190fa95cab5f3bfcc7aae932cc7469d07fc219871ca594496fbfe74e277d3b6ccfbd7d5c24c162623515ee2fef0b diff --git a/sci-chemistry/votca-xtp/votca-xtp-2021.1.ebuild b/sci-chemistry/votca-xtp/votca-xtp-2021.1.ebuild new file mode 100644 index 000000000000..4d4db8635e4d --- /dev/null +++ b/sci-chemistry/votca-xtp/votca-xtp-2021.1.ebuild @@ -0,0 +1,51 @@ +# 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 -> ${P}.tar.gz" + KEYWORDS="~amd64 ~x86 ~amd64-linux" + S="${WORKDIR}/${P#votca-}" +fi + +DESCRIPTION="Votca excitation and charge properties module" +HOMEPAGE="https://www.votca.org/" + +LICENSE="Apache-2.0" +SLOT="0" +IUSE="test" +RESTRICT="!test? ( test )" + +RDEPEND=" + >=dev-cpp/eigen-3.3 + ~sci-chemistry/votca-csg-${PV} + sci-libs/hdf5[cxx] + sci-libs/libxc + sci-libs/libint:2 + ~sci-libs/votca-tools-${PV} +" +DEPEND="${RDEPEND}" +BDEPEND="virtual/pkgconfig" + +DOCS=( README.rst NOTICE.rst CHANGELOG.rst ) + +src_configure() { + local mycmakeargs=( + -DENABLE_TESTING=$(usex test) + ) + cmake_src_configure +} + +pkg_postinst() { + einfo + einfo "Please read and cite:" + einfo "VOTCA-XTP, J. Chem. Theo. Comp. 14, 6353 (2018)" + einfo "https://doi.org/10.1021/acs.jctc.8b00617" + einfo +} diff --git a/sci-chemistry/votca-xtp/votca-xtp-9999.ebuild b/sci-chemistry/votca-xtp/votca-xtp-9999.ebuild index e4c0b6c8a536..ff2782e4b99a 100644 --- a/sci-chemistry/votca-xtp/votca-xtp-9999.ebuild +++ b/sci-chemistry/votca-xtp/votca-xtp-9999.ebuild @@ -28,6 +28,7 @@ RDEPEND=" sci-libs/hdf5[cxx] sci-libs/libecpint sci-libs/libxc + sci-libs/libint:2 ~sci-libs/votca-tools-${PV} " DEPEND="${RDEPEND}" |