diff options
| author | V3n3RiX <venerix@redcorelinux.org> | 2021-07-24 02:11:45 +0100 |
|---|---|---|
| committer | V3n3RiX <venerix@redcorelinux.org> | 2021-07-24 02:11:45 +0100 |
| commit | b49088575eb777ced2551f484da86317332d6087 (patch) | |
| tree | bf9a151cf2d61956340d555659ffc098ee1da466 /sci-chemistry/votca-xtp | |
| parent | 514d1bbe260df2521fe60f1a3ec87cfcfde1a829 (diff) | |
gentoo resync : 24.07.2021
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-2021.1.ebuild | 51 | ||||
| -rw-r--r-- | sci-chemistry/votca-xtp/votca-xtp-9999.ebuild | 1 |
3 files changed, 55 insertions, 1 deletions
diff --git a/sci-chemistry/votca-xtp/Manifest b/sci-chemistry/votca-xtp/Manifest index a720c673de91..8933d42bd96b 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-2021.1.tar.gz 2192322 BLAKE2B 8b15f17e1287249ff383fc2b66b5d37c7f78bac071ea6cc2f902811ab56cded26db764cd204371d5bebca55dfce73d840d680a4c62bc458a6cf55955d783a666 SHA512 ad0190f3e9235aec9c6db4ea16de7cd0daad96ff9836821672b46dcf098ed3bc1cdbb98ccf4b495dab172d1c1a971580eef8dbf341a2067964f684871ca6277f DIST votca-xtp-2021.tar.gz 2192166 BLAKE2B bcacdfe92b8c9fbbe2fe949d7096c09928ef7ece3cc4e40adbf58f2894036588762f9905bce1a1595bea99d1dfb8bcd99f395bed2ce7b94eeaf51b1c33719558 SHA512 1444fd0a64a684fd2b1327a9c3af067ea812190fa95cab5f3bfcc7aae932cc7469d07fc219871ca594496fbfe74e277d3b6ccfbd7d5c24c162623515ee2fef0b EBUILD votca-xtp-1.6.4.ebuild 916 BLAKE2B 3f322407b39ca300186e1e283a6a85749b79518cbd7355577992fc4eeb7931c419e018a384a29d1e84becc5a7c94f7905c96d26cf6a750a9b0124ea35a40bd7a SHA512 65a479d3292c7296cbfb6543fe47e54f2824705dcbc2b2e75f6f2f4fda9f827ce15904aacff59c927061547a45c940eebef4f4fa3e3bcb226f401a6817dd74fc +EBUILD votca-xtp-2021.1.ebuild 1072 BLAKE2B fd96c0a844636d52b3d4f10fc3cd4ad04061f6e015d1e8b087bcd50157e4d8a2586d7a4948b39987628d6efd9fc0c373d8bb77344bc62c3651d7b08704bc59fc SHA512 a1e95165d8c55351762d5a1cf70316862de2e30b765df1aaf8d904aa0cc0bf8d9e1f75aba3c88a4c7b273fee29d6a1bc89d710bb3fe298da5ee92b4f427a4f4a EBUILD votca-xtp-2021.ebuild 943 BLAKE2B a0596dab1f69c3c8e9afb3699b44ab0e49cd4e8f5ef6a397eed39ed051e13f0b457ca0b0e225329dcf73bc58799d4e3fc217805784f936d9e1ee09c3586bd998 SHA512 9c4688a19b3a4ef75c79a0500f253aaa1a99d38ed4e56948e4743ea03e734e613be845b56d084c67d783a8e76cd4ebc2888b94bfe3c6e67a9799bc22af6ff19b -EBUILD votca-xtp-9999.ebuild 1073 BLAKE2B a9c1b41b9c84fdc31a6203714b183bb5d119e14e4a7e7c439d854c8f484bfab1e7f7f547b47ca059a080d667db36acf1311f406c83bcae3cfadd99c2262b8c39 SHA512 158015f6f79d215ab8a443cec0b104992e3ccea07356ea7a1c24790d8f0ee67eacff1f238fac30a5f9f522b131a599d6ea9fc6ed943c9889203826c7a9ea8849 +EBUILD votca-xtp-9999.ebuild 1092 BLAKE2B 4cc16fc9d7abf33f18b3120f9b756b1ada45dddfcb0686a28f0d522feb989ad39f54fb00249e7b388bdc4a063da89486cfd2827cfb7d3eddb0303f232fc3af91 SHA512 967feec2008dc88c8a15d825876d3d83058792843d2a7b7a67f702f7ea097a32c99397909c65eea1b0e27d5eb76cf156749ae1f68630cca8af2270f47928485d MISC metadata.xml 453 BLAKE2B 51ee11d9c55f15fd0382a7c422d1c12364901a5ac257f57d04b91b8ca77acf9c1eb709879bfc6042b577961352cbc4e31b01ece3a8c650eaffa9b4ebc6d385fb SHA512 892c8f84df6bd19e969b372def9a485be9121d8f7ab410b532529980298e57d0705f73fac409d8f251449cf2119dd3f28133e08d21d0e73b27d5ec0e9a3f205e 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}" |