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| author |   Christoph Junghans <junghans@gentoo.org> | 2021-03-14 13:14:40 -0600 |
|---|---|---|
| committer | Christoph Junghans <junghans@gentoo.org> | 2021-03-14 13:15:03 -0600 |
| commit | e4fdd0ad2100160149ebe6fb77dfb643a65de55f (patch) | |
| tree | 57b1bd5df380d57cc523bcb6930c9ca2a4f1d296 /sci-chemistry/votca-xtp | |
| parent | sci-libs/libint: enable shared libs (diff) | |
| download | gentoo-e4fdd0ad2100160149ebe6fb77dfb643a65de55f.tar.gz gentoo-e4fdd0ad2100160149ebe6fb77dfb643a65de55f.tar.bz2 gentoo-e4fdd0ad2100160149ebe6fb77dfb643a65de55f.zip | |
sci-chemistry/votca-xtp: version bump
Package-Manager: Portage-3.0.13, Repoman-3.0.2
Signed-off-by: Christoph Junghans <junghans@gentoo.org>
Diffstat (limited to 'sci-chemistry/votca-xtp')
| -rw-r--r-- | sci-chemistry/votca-xtp/Manifest | 1 | ||||
| -rw-r--r-- | sci-chemistry/votca-xtp/votca-xtp-2021.ebuild | 43 |
2 files changed, 44 insertions, 0 deletions
diff --git a/sci-chemistry/votca-xtp/Manifest b/sci-chemistry/votca-xtp/Manifest index c0ed4cb5aacf..629203b5c081 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-1.6.tar.gz 1404955 BLAKE2B 1599281ea1cd6b5a93b1d91f69a793af7bb9cd2fbf70157e5d40a5bfc72f973f3d97338f92157c2c482ad041f8afda298282b1f83dda66d0bb189bdc07bb5a23 SHA512 cb99c31fe7f1af53b8ccf50cc9cc304ed5c5b5d1a165e1a72a456c0bbf5ac8bb9263c9eff829acc74be348192afbf80fd4d80a2c20d1dd5d7f909b1b50368670 +DIST votca-xtp-2021.tar.gz 2192166 BLAKE2B bcacdfe92b8c9fbbe2fe949d7096c09928ef7ece3cc4e40adbf58f2894036588762f9905bce1a1595bea99d1dfb8bcd99f395bed2ce7b94eeaf51b1c33719558 SHA512 1444fd0a64a684fd2b1327a9c3af067ea812190fa95cab5f3bfcc7aae932cc7469d07fc219871ca594496fbfe74e277d3b6ccfbd7d5c24c162623515ee2fef0b diff --git a/sci-chemistry/votca-xtp/votca-xtp-2021.ebuild b/sci-chemistry/votca-xtp/votca-xtp-2021.ebuild new file mode 100644 index 000000000000..a1148a82dcbb --- /dev/null +++ b/sci-chemistry/votca-xtp/votca-xtp-2021.ebuild @@ -0,0 +1,43 @@ +# 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}/${P#votca-}" +fi + +DESCRIPTION="Votca excitation and charge properties module" +HOMEPAGE="https://www.votca.org/" + +LICENSE="Apache-2.0" +SLOT="0" +IUSE="" + +RDEPEND=" + >=dev-cpp/eigen-3.3 + ~sci-chemistry/votca-csg-${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 ) + +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 +} |