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-csg | |
parent | 7218e1b46bceac05841e90472501742d905fb3fc (diff) |
gentoo resync : 20.03.2021
Diffstat (limited to 'sci-chemistry/votca-csg')
-rw-r--r-- | sci-chemistry/votca-csg/Manifest | 5 | ||||
-rw-r--r-- | sci-chemistry/votca-csg/votca-csg-2021.ebuild | 85 | ||||
-rw-r--r-- | sci-chemistry/votca-csg/votca-csg-9999.ebuild | 10 |
3 files changed, 94 insertions, 6 deletions
diff --git a/sci-chemistry/votca-csg/Manifest b/sci-chemistry/votca-csg/Manifest index b1f031db5c08..d45414d9fe6a 100644 --- a/sci-chemistry/votca-csg/Manifest +++ b/sci-chemistry/votca-csg/Manifest @@ -1,14 +1,17 @@ DIST votca-csg-1.5.1.tar.gz 708319 BLAKE2B 2ea75cf08dc3005bd08ebe85113d95743fe85bae4b7ac3c2e2d9b64be64a7103ecf30b9edf45cffa86b7588d5c57a0256aef02f4590fa6031cb63881480bd0fd SHA512 3559452182c325d5df72918ec6e12122c8214df9733d779c123ff199597fe47fc493fd75adf1f5dbc6b55016373863378ba3cc69fb6b61bc1531c6e591d8131c DIST votca-csg-1.6.4.tar.gz 537966 BLAKE2B c9ccc3aa28bdc4a2a2c080104b70602d8cf4be19a71e7d0b4a1c03d11f54b645984103d1662823a9308a4e4c4baedef731de06ff314b168f89e7326c0d3c8ee9 SHA512 4cdbf6c0a593720675f48f574ff9a93d038a48037543c1e09a4559d3eb262a2d8bf83d5f5dab85b4820a541e0c57f7cca78315d5b3382763e8acd8cc0fcb65ac DIST votca-csg-1.6.tar.gz 464175 BLAKE2B 1871c7edc4b4e848a06049a7c687e906f166312777bdbf5c65be8efe8d5032582fdca9dc7eca453b7013901f409326b0583c79731c68fa2b4e6366f021958b0b SHA512 76cda93023d46a66ae31edcec0ece709ddc70a9be9d098721b945006c197ed3b6cbd1e643158797be518c4fe66f7b23d3e8d8735cbd9e155db3db0d79929cfbe +DIST votca-csg-2021.tar.gz 4300573 BLAKE2B ba589c97f22888b8a1a12c71314133c08c89e44c201bafa6e5f1d74dfe90c87dd84a5d1c2883b26402858b6aa990d37add57bdfb9db6836a7c287f0685a40a59 SHA512 8eacf4045ddc13d33e853cd35a67d03dfb63da60c3e879ea4f16e63f27a92aa13cbf4e367d9258778c9c09462443e4bb2b937c247c6246377ceeecf56bc6fc12 DIST votca-csg-manual-1.5.1.pdf 1263719 BLAKE2B 29e2ce27215787a1121e45ec1e88ce7c61ba81709a2519aa0959eede505498b9aaf4f38666bb1a4f97837c98b862e7ed02405da07294a7ec76cc80390fe72e0d SHA512 7d9fb4c635383e1b9c9547691f8729e19f273fcafc4dab2a6b438b3ce98ea05bd31887d09bc4edc86ceb0b04d71a4371aed7aadc3ba6864f7be2ef3328ede642 DIST votca-csg-manual-1.6.4.pdf 1242124 BLAKE2B 003a255d2869c8185f9e03038f646a80b682be3daceb18757c791f5d52101379402aee20c5dcb65ef8ce651bd6f6590ad5249e835e53ce92e04eb33214017a9e SHA512 36956acd24a21cb0a1dd26d6640b41b7473132948327c05856191b4f9531b4d1d5f98be68a9d1a847935d47633d483e87c2300634233a6e617a010c1fb563690 DIST votca-csg-manual-1.6.pdf 1248178 BLAKE2B 5213d55787041db81fe8563febbf130db6aed9233e569039b66d69cfb173131353d45bef824640ee7b0a3fed7821ede4d5a6ce6ffc14d1548499317afdc0248a SHA512 e91d4b8397b67808c9671b9adbaad41fd9a0ede90066e220839d86f21a9bbcd4e433534faf1dfbca106d55af5a6cce0425a5bdfa3eb30ebe14469594da0129ca DIST votca-csg-tutorials-1.5.1.tar.gz 5949467 BLAKE2B c6de6084fbb1d2c4ac2ce75d01a1153eabc63386063de800ff2dc6b483b0568191e7f06ddcb8be46123224ccfd3a97f5fb4e7cd603c0ee99a8636d7143f6c701 SHA512 f2e709ae31d914fe12a4ce37b5019deb878b15ade14972f2a8204bec8970ba2c8946b71b94a5bfd6f7569e41173bfbc75275ea09cbee4358ad1de0e84751049c DIST votca-csg-tutorials-1.6.4.tar.gz 5944389 BLAKE2B 66f1d4947bb28ec602250226ad2c08cc02278a90776acbcadca2df3078361435fb2353ee0fa299d0d19697d36682f20aab709d45539d5ac7e7070942601ebc3f SHA512 7e40037f2e70c861fd7f5c63806c17ad56672a340a8795fa745414940c55f593bef32b9f6b9050400131ed9e66aa927149e9d324a1c264364d8504baf1921e28 DIST votca-csg-tutorials-1.6.tar.gz 5946764 BLAKE2B 018bd00c86c0a85baf35afd2ea4206c96dee8f948dcbf331b53e6f685b69bf2c909731b15ba3261c86cee9e1960ec5cfa7b2ee0c6dcfabbbbc110789840184ad SHA512 36d3a66c19d230f2002170851345da7063aeef1f29841945b8a182f73922617823815dde5d7289fb0f80e771ac03780adacdf95af4814235edbf69a4772b3696 +DIST votca-csg-tutorials-2021.tar.gz 5942031 BLAKE2B 60ef492c98bf07b5169c6f1be2298b6dac76003ef9981064463de9fdae649c215d469424e253d06b63637bb3eee9383c587a98322ab987995f8b4861bb0002e1 SHA512 844706407cb91d507c6b0433e23f4b27756dd4c882f6cef79d51f2b2acae6cd0114ccd91d626d090d0f61c58a57cc3c1eda0a0d10d6f4bfa522eda7ee8de21b3 EBUILD votca-csg-1.5.1.ebuild 2522 BLAKE2B 0fe2b373307c76ebab320169b5ae837c463a734b029af1a328a87c2428b19484f138c75e7bb1e4ad91d0c099aa24c97c411c2f00308ebad051a81d0275e797be SHA512 2c6018212ae244e7387a2f63e186e970dd18825d77994f862c283131796ac93c6bb25a5233a41e306d8090ee75c82759025b74c3d1e0a0211adf67e0b3964449 EBUILD votca-csg-1.6.4.ebuild 2292 BLAKE2B 09218b100241e4025010215d975195b7d6f17343f4dce8d4a0e1c18b8c2c99d7fba8f0a8e8372ea8a543cd13b96514e2c2e3bec61ba23ce99031c107f30600fb SHA512 68d528d8b8496c65ec30ec8552baf9bd8b74d75ecafb3972c19e3b1d13214dc93215f5f50c96cd7ef0e86cdfce53d1a9da83514c5babc673dd6763a1657464b5 EBUILD votca-csg-1.6.ebuild 2332 BLAKE2B 4241ebb2ab2c45fdd192eee0fc1ff111ddfa025ac5c1ff0fb98e551ff842ec91b3c299e8e662dedfbc5783707c107ac94df79d18747dba2f7a5e5853e7d4b38e SHA512 e821e4a31d4811abaa8fd05e225ab090c2d67d7bc2e3c399d544ae22fb14a4f6bb2e4f9ce94ecabd11b5c3fe0623523efc2d93fde3428bb6b5d492b366803216 -EBUILD votca-csg-9999.ebuild 2020 BLAKE2B 5c69ecca5b9a7dcb71c12282ab5e9bfd44afd2553afdf5dd455fa8333b0e5fc81f95edfa5b065054f0b3cafbc9b1abfeffea5e2f2b1c0b80483cedac6764f3b1 SHA512 9f98e49c8fc3767c5154122352ac2260c5acef45f971c7421720767089b7d5b4c611a828d2d220245f673d7e72f186740b4c6578249a479708cc9a6365afb063 +EBUILD votca-csg-2021.ebuild 2033 BLAKE2B 77fc10474aff5882c3d99133175f67ee51704dd1a32e101a42afb5e4417f3c478b4311f9ed619d62c1eab13328b130cfb1e500ff1e890c518adc0b1fcf167c6c SHA512 de1e8c1d9cb22e75ebc8dc7c043aafb04dce6eaf3d7173f1e745a6578b7236e9f71ce3b75fa5698333eca7c5c74a41337eba3fb4cd5c037e8bf3172bf78296eb +EBUILD votca-csg-9999.ebuild 2072 BLAKE2B 1b13ee8b2bd47a7bd17fbddf1cc46f3ac38a21ba4c2d6d5a453ef3c55e2894b31c20c0f32d2b335b76d76ca56df6838b2ed6a616ee96e9dcb6fb7981f2f10346 SHA512 561f20660a4db6bca57c3bcf10c69aab2834b0a054c2ce95245a52536a1064c1481840001594cf2bcc4c060e3c407078d9d0b67497bd861d3f0a1df6b0ba3678 MISC metadata.xml 676 BLAKE2B b3f2e43f5cb505876216b0a329410c9cef1b44a9bbd7e1c61faa4acd00dbe87ea0cebb00ed78dc00b9e1d2b08b95e3c40d25fecc0738c992a3f933e430f94e2b SHA512 14ecd498eeeed1576923d8da9bc5dc98e47c1d162173b7f2419ad367fa84e227555bd0365709be8a456dc5388ea6fa6734fa7df3c82fd4efcd1cf3460c7e12a1 diff --git a/sci-chemistry/votca-csg/votca-csg-2021.ebuild b/sci-chemistry/votca-csg/votca-csg-2021.ebuild new file mode 100644 index 000000000000..0b8ffb4e34b8 --- /dev/null +++ b/sci-chemistry/votca-csg/votca-csg-2021.ebuild @@ -0,0 +1,85 @@ +# 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" + +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=$(usex extras) + ) + cmake_src_configure +} + +src_install() { + cmake_src_install + newbashcomp "${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 +} diff --git a/sci-chemistry/votca-csg/votca-csg-9999.ebuild b/sci-chemistry/votca-csg/votca-csg-9999.ebuild index 358ce54951d8..ba2fbdfd7aa7 100644 --- a/sci-chemistry/votca-csg/votca-csg-9999.ebuild +++ b/sci-chemistry/votca-csg/votca-csg-9999.ebuild @@ -20,7 +20,8 @@ HOMEPAGE="https://www.votca.org/" LICENSE="Apache-2.0" SLOT="0" -IUSE="doc examples extras +gromacs hdf5" +IUSE="examples extras +gromacs hdf5 test" +RESTRICT="!test? ( test )" RDEPEND=" app-shells/bash:* @@ -32,7 +33,6 @@ RDEPEND=" " DEPEND="${RDEPEND}" BDEPEND=" - >=app-text/txt2tags-2.5 virtual/pkgconfig " @@ -54,10 +54,10 @@ src_unpack() { src_configure() { local mycmakeargs=( - -DWITH_GMX=$(usex gromacs) + -DCMAKE_DISABLE_FIND_PACKAGE_GROMACS=$(usex !gromacs) -DCMAKE_DISABLE_FIND_PACKAGE_HDF5=$(usex !hdf5) - -DWITH_RC_FILES=OFF - -DBUILD_CSGAPPS=ON + -DBUILD_CSGAPPS=$(usex extras) + -DENABLE_TESTING=$(usex test) ) cmake_src_configure } |