diff options
| author | V3n3RiX <venerix@redcorelinux.org> | 2021-03-20 14:27:17 +0000 |
|---|---|---|
| committer | V3n3RiX <venerix@redcorelinux.org> | 2021-03-20 14:27:17 +0000 |
| commit | 5bb9ff1ee56d2b5e75e01a7f066d8b0cec84ec02 (patch) | |
| tree | 66e860a5099bcad013f1cf667255dc372a7c11b3 /sci-chemistry/votca-xtp | |
| parent | 7218e1b46bceac05841e90472501742d905fb3fc (diff) | |
gentoo resync : 20.03.2021
Diffstat (limited to 'sci-chemistry/votca-xtp')
| -rw-r--r-- | sci-chemistry/votca-xtp/Manifest | 4 | ||||
| -rw-r--r-- | sci-chemistry/votca-xtp/votca-xtp-2021.ebuild | 43 | ||||
| -rw-r--r-- | sci-chemistry/votca-xtp/votca-xtp-9999.ebuild | 13 |
3 files changed, 57 insertions, 3 deletions
diff --git a/sci-chemistry/votca-xtp/Manifest b/sci-chemistry/votca-xtp/Manifest index 0566e30845e4..41b68fe052cd 100644 --- a/sci-chemistry/votca-xtp/Manifest +++ b/sci-chemistry/votca-xtp/Manifest @@ -1,6 +1,8 @@ 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 EBUILD votca-xtp-1.6.4.ebuild 918 BLAKE2B 5ed068af82c39ebe9a67e34157f4382a0b79048110305660eeac7d714d21376768ad63c6311f218d7c58c757201472190c69b6bbdc570fcd28d34291f9f20568 SHA512 370253c1fe351fe528502b221cd7c7f1cd05331313fbbfd974ef0ba2c85f8247fbe9d2fbe14ca180954b04e52c33458c636f4a1c41eda78ed689fc26723e117a EBUILD votca-xtp-1.6.ebuild 955 BLAKE2B 02248b9fd6aff495ba7362e836e78540c489696c8035b2dc36494d2574a4eabdb9e89e41f277ca59e1b6b0fc0929ed2e1ed5d4fb7a302b7f3ee4c02199006004 SHA512 c7094ef6df89b323ab69f7dc369bbf88758c35803dcfa8bf2acc9390b34fc556aef3917c1167b8303870c85b507940798a4286460483ecb8a7016baa762728c5 -EBUILD votca-xtp-9999.ebuild 918 BLAKE2B 5ed068af82c39ebe9a67e34157f4382a0b79048110305660eeac7d714d21376768ad63c6311f218d7c58c757201472190c69b6bbdc570fcd28d34291f9f20568 SHA512 370253c1fe351fe528502b221cd7c7f1cd05331313fbbfd974ef0ba2c85f8247fbe9d2fbe14ca180954b04e52c33458c636f4a1c41eda78ed689fc26723e117a +EBUILD votca-xtp-2021.ebuild 943 BLAKE2B a0596dab1f69c3c8e9afb3699b44ab0e49cd4e8f5ef6a397eed39ed051e13f0b457ca0b0e225329dcf73bc58799d4e3fc217805784f936d9e1ee09c3586bd998 SHA512 9c4688a19b3a4ef75c79a0500f253aaa1a99d38ed4e56948e4743ea03e734e613be845b56d084c67d783a8e76cd4ebc2888b94bfe3c6e67a9799bc22af6ff19b +EBUILD votca-xtp-9999.ebuild 1073 BLAKE2B a9c1b41b9c84fdc31a6203714b183bb5d119e14e4a7e7c439d854c8f484bfab1e7f7f547b47ca059a080d667db36acf1311f406c83bcae3cfadd99c2262b8c39 SHA512 158015f6f79d215ab8a443cec0b104992e3ccea07356ea7a1c24790d8f0ee67eacff1f238fac30a5f9f522b131a599d6ea9fc6ed943c9889203826c7a9ea8849 MISC metadata.xml 453 BLAKE2B 51ee11d9c55f15fd0382a7c422d1c12364901a5ac257f57d04b91b8ca77acf9c1eb709879bfc6042b577961352cbc4e31b01ece3a8c650eaffa9b4ebc6d385fb SHA512 892c8f84df6bd19e969b372def9a485be9121d8f7ab410b532529980298e57d0705f73fac409d8f251449cf2119dd3f28133e08d21d0e73b27d5ec0e9a3f205e 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 +} diff --git a/sci-chemistry/votca-xtp/votca-xtp-9999.ebuild b/sci-chemistry/votca-xtp/votca-xtp-9999.ebuild index d9f436b0316c..e4c0b6c8a536 100644 --- a/sci-chemistry/votca-xtp/votca-xtp-9999.ebuild +++ b/sci-chemistry/votca-xtp/votca-xtp-9999.ebuild @@ -19,19 +19,28 @@ HOMEPAGE="https://www.votca.org/" LICENSE="Apache-2.0" SLOT="0" -IUSE="" +IUSE="test" +RESTRICT="!test? ( test )" RDEPEND=" >=dev-cpp/eigen-3.3 ~sci-chemistry/votca-csg-${PV} sci-libs/hdf5[cxx] + sci-libs/libecpint sci-libs/libxc ~sci-libs/votca-tools-${PV} " DEPEND="${RDEPEND}" BDEPEND="virtual/pkgconfig" -DOCS=( README.md NOTICE CHANGELOG.md ) +DOCS=( README.rst NOTICE.rst CHANGELOG.rst ) + +src_configure() { + local mycmakeargs=( + -DENABLE_TESTING=$(usex test) + ) + cmake_src_configure +} pkg_postinst() { einfo |