diff options
Diffstat (limited to 'sci-chemistry/votca-csg')
| -rw-r--r-- | sci-chemistry/votca-csg/Manifest | 4 | ||||
| -rw-r--r-- | sci-chemistry/votca-csg/votca-csg-1.6.3.ebuild | 92 |
2 files changed, 96 insertions, 0 deletions
diff --git a/sci-chemistry/votca-csg/Manifest b/sci-chemistry/votca-csg/Manifest index 5256db400e98..6041b6840b5e 100644 --- a/sci-chemistry/votca-csg/Manifest +++ b/sci-chemistry/votca-csg/Manifest @@ -4,6 +4,7 @@ DIST votca-csg-1.5.1.tar.gz 708319 BLAKE2B 2ea75cf08dc3005bd08ebe85113d95743fe85 DIST votca-csg-1.5.tar.gz 429164 BLAKE2B da04bd9ce8e879e9a961006256e03d160fa49fe77aa2f1eff0986b338296b04137bb087ecfabb7f2fc855b0ccd83dc4ddddfd65c43303bf5f2eef0519d27b0ec SHA512 c5a77ded3c9b2582494bea55b464689d566d4155713af823dccc6999f98438444d51fae3948144f82c2aaf3914eee740fe21e8828af689d37ab0b5ffea0605fa DIST votca-csg-1.6.1.tar.gz 474044 BLAKE2B 36ededfffe7af5b87b2a031f69afbb9cc727af9454466163312e48c23719f6fe3cb727de96c419ae6e7d4901576013bd76f84d8e7e394cc65df4d83bd1ce30bb SHA512 b8f0f1bf2ca57ee9e2050b4a76e1d725ccb0908314886415f36d4e4554953b4e1c93f7c05502afb77f9b7b5ef3059ebbf7f223b965ba72ae45736798fa2e6ad9 DIST votca-csg-1.6.2.tar.gz 522982 BLAKE2B e0376e04e7baabaa45cab2cc87ff3d7574a35a4a50d87763bb42232eb6f110904b9fb5cdee0a8f2b4057a441a8ca5e276a8d44e14ec3609301832c2ed18cfd94 SHA512 e1d88cc9d18718f323355736afaf309940234001abb39414dd4990f1ff231ef3e8f71d51c78929c422c296b96f304fa17f6c9671071148ff1446bdc1eb442708 +DIST votca-csg-1.6.3.tar.gz 523225 BLAKE2B 4edb53515957f86f272c0bfbef2d72086432665d97fec4bda6011aaf732a5878c2d85e23d15ac24e5051ae3d11328799b5a0d76cf5c13a1202e11be10fe16b0b SHA512 7804d17f5c79ab6420653e1f1007539edb8c22dab47b0a9c776d726c9ac955ae2e3740bcfa171d9a347b074692be81499329a54e9dcfa53a173a7be082739525 DIST votca-csg-1.6.tar.gz 464175 BLAKE2B 1871c7edc4b4e848a06049a7c687e906f166312777bdbf5c65be8efe8d5032582fdca9dc7eca453b7013901f409326b0583c79731c68fa2b4e6366f021958b0b SHA512 76cda93023d46a66ae31edcec0ece709ddc70a9be9d098721b945006c197ed3b6cbd1e643158797be518c4fe66f7b23d3e8d8735cbd9e155db3db0d79929cfbe DIST votca-csg-1.6_rc1.tar.gz 479265 BLAKE2B c4ba3c81eefd375eea6f8c0b1cd60f9cc80898fb7e8e811ecc286f06d94bd4316edfca277649ec3f7f8b751b2f2928ca2dfe61cc3b1c3060a324ea783c62003f SHA512 6622648ddc3308ca2f8e98d6dbcd28e33a4e0fb44d96ef94ebcaa2e87e5ba3ca2ab83dcc1de4fd0803dbc20ba7192f5fdd2c935b364ed4e2122b5948c10d4936 DIST votca-csg-manual-1.4.1.pdf 1282641 BLAKE2B 370b7c8997649555fd2360b999cf381c340a74c3747afda23d0e9d346367cc6d14d4e9a0e9ac82184945427d30050dd623dd1b6d8218c6ff3d2f17331987aaae SHA512 e89f41af05eaeb9ea499e8625cc98e2632ec647ec2d8c9c9052dcd4d2935d082b29b51495514e3e06e73ce42b8cda7017fc523a013569378e2bc86bf88ad32d4 @@ -12,6 +13,7 @@ DIST votca-csg-manual-1.5.1.pdf 1263719 BLAKE2B 29e2ce27215787a1121e45ec1e88ce7c DIST votca-csg-manual-1.5.pdf 1273566 BLAKE2B edfa2adb942d968cf79499e89342b7aaab64edfbfb6e02f76a66201df0920a58acc17bf4e2e4846d104519df163223c27f283cc5798ec7b64d9317a7728ff8c4 SHA512 da298ab0c27000ccf7fb5793c4252c4e17a969709db2649a5acb56af6208b954312c46a2ea8399cdb879b699e72a0ded0b2fe1bcd26431c6625f36b09c0267a5 DIST votca-csg-manual-1.6.1.pdf 1248350 BLAKE2B d4433974e38785fb968bd357ed2914515b2a22a78d6417597265bb1420b5af8b7b9849533a5faba571bcf635eff8385b244b2252bf7a20d3adb9318cd7115b03 SHA512 d627a9c7a71b8ac5e8d6ca109f0ea56978706b0dd1408aaf10b75b4b52f40b6150063248477ca2b5922f603e8d582ddd4dec3de73b3991db5fbb7bf204d347a3 DIST votca-csg-manual-1.6.2.pdf 1241907 BLAKE2B 9d51682099081cb8301eed10e7bb4f3afea89561626da5f3b361939d8d9b4ed15bb49392074bc19c530d413f4913afbf4ce612ee62e0e4d22c30f856a2019cbb SHA512 a85094bfa9ae2fcef52f42af162eb1a94ed30de9d7785aac03d7591177f6982dd315874566ce2671df508a3139ce8816c6becf0e0c1d0bfb9b675063810eb3e7 +DIST votca-csg-manual-1.6.3.pdf 1242192 BLAKE2B 18097cd949b1c874b41b9e0df0ae3815027a5d7fe3d7a3b236ae2aacb269106265e9467a4d78dfefd6f51bcd514727d88500e43d759df0d23f76644833d4b2f7 SHA512 a631670100dd1f26f2fa815b714dc51c7551f2d92d2072af210778cc380bfdcbc70d01c0a47b88b0ea351d73a5fd334db1da8463d21c933d7af3d7af3b10ccc2 DIST votca-csg-manual-1.6.pdf 1248178 BLAKE2B 5213d55787041db81fe8563febbf130db6aed9233e569039b66d69cfb173131353d45bef824640ee7b0a3fed7821ede4d5a6ce6ffc14d1548499317afdc0248a SHA512 e91d4b8397b67808c9671b9adbaad41fd9a0ede90066e220839d86f21a9bbcd4e433534faf1dfbca106d55af5a6cce0425a5bdfa3eb30ebe14469594da0129ca DIST votca-csg-manual-1.6_rc1.pdf 1248403 BLAKE2B b702eff4a36d27d592147f115f4e9080cbf580b6401141a14865395f0cb927c35f60035f92724e71e5edadbbe3e317f93989eb6f2e0a0e7b9f685e56851546d2 SHA512 2514bd2fee4bae787a3f8c07d1f1d90061a2b503255efe0730ed164bb002c7e7ad7309ccd3b5b931994f70b7ed99afde28955d9ea1b34c86df21bfcb8bfb39bb DIST votca-csg-tutorials-1.4.1.tar.gz 6339417 BLAKE2B e9acf8e421f6fce4d97be2d51fb559979c6fd3e6b042525cedf32cadeab1dddc5b1aaf80bbbfd387da3bce71672759c2e84d317c789f616dc71834c72a581fff SHA512 896ec9d6b2537a06301046a74c1957708eb96d9854b3ec855fe3457208c142f6fb26a03e323a2644862a1efd0030fcceb1189f73655b984462f0f7127a02de90 @@ -20,6 +22,7 @@ DIST votca-csg-tutorials-1.5.1.tar.gz 5949467 BLAKE2B c6de6084fbb1d2c4ac2ce75d01 DIST votca-csg-tutorials-1.5.tar.gz 5947774 BLAKE2B d497f1e9282c4cacc070d09d901ad8f5d3042ab3a279aa4d1c3bcd3184dc22231d1f2a75ba0ffe245e6f6300fb740e562b24c8039594ec01307491a6068b55f6 SHA512 00447380fa887178ad02cc4e1425a04fc2fd2babdd4790d387fcd4aa2734dc14dacf4b4444d420937aa0a5b53e90741b44f9a4bca31bdcdae10fbfb8323e9848 DIST votca-csg-tutorials-1.6.1.tar.gz 5945945 BLAKE2B 18ea7e406acf70e37049b1f8676551d96b20825fba25bb9c1e674b0f94f5ee41bd74ce77619880dfb2e2f1f8fb0b40de9ce8a5e9e9d8470639af057376a19632 SHA512 82d60fcea4859e1caa6138147848427dbdb1ddcf4e0713b6f2d50cd624ceacdbce1ceb8e98fb85d079d8d9de02f501ec8c9236243fe75761e44486f27207249b DIST votca-csg-tutorials-1.6.2.tar.gz 5945110 BLAKE2B 2871c89c763c8624deb877f90da10cd2021ec5b10a0d8473c4523b70a179247ad2e809aa5b0aab7c36a324d929b55f3b2070822914043382424b87fbf34ef05b SHA512 40f377a824f6c10be759adf3e1b87dbc5392b00e4a377ba04d998f96aa9b7ceb986c2e5cfac16ea3047f08d2d76deb7e9f3aadfba794f58b8f131861f7a7ff04 +DIST votca-csg-tutorials-1.6.3.tar.gz 5944550 BLAKE2B ab84819cd567f60d05fe4368b077541fe4804dc91040354b99a37aa23831af26047b87d2b987a8eb20c4c588fd4fc099302493ce77b4df70f436fc372ec25a4a SHA512 a05b56272b293b5ec7ea5d413f4d34e023ac3f2fe018548891be71ba925181c05ea758b73a0264ee76626582084e7e9f8972dba66ceed31642d3f35796354b99 DIST votca-csg-tutorials-1.6.tar.gz 5946764 BLAKE2B 018bd00c86c0a85baf35afd2ea4206c96dee8f948dcbf331b53e6f685b69bf2c909731b15ba3261c86cee9e1960ec5cfa7b2ee0c6dcfabbbbc110789840184ad SHA512 36d3a66c19d230f2002170851345da7063aeef1f29841945b8a182f73922617823815dde5d7289fb0f80e771ac03780adacdf95af4814235edbf69a4772b3696 DIST votca-csg-tutorials-1.6_rc1.tar.gz 5946622 BLAKE2B 7bf0c7083ca7b148d16f7b77b9f785c11b16a8124a5435522e8c065859f4c2ae560c622f04021918b2683c9955d5a1b674c84fad179319f5fedb86616bbe24e7 SHA512 1c89f95944f8277a995d9d6d7dacfae2ae1be54a9a7b19c53d3464a4bdf5da0556e862033ba0a5f442b1ee5bd79bafd478655856fe266f4285c98e14512ce259 EBUILD votca-csg-1.4.1.ebuild 3204 BLAKE2B e447a6859d7ee4d722701f96634667529bd183f10dd4affeb2713023edfe52ab73988df7ef912963bd154b893bd2d401d2fd110a729040a2a2c52ec5fd44985c SHA512 df94c127269df2a2eaa9643005eeeae6925b458fbb0cb4d1661757a49e5ab4926a613c532e4df4475b34768e904d2388270c868c9ad675cd110e2b1737153e3d @@ -28,6 +31,7 @@ EBUILD votca-csg-1.5.1.ebuild 2552 BLAKE2B a64b31b3b6a9297b6ead93e9f5605ace929fe EBUILD votca-csg-1.5.ebuild 2550 BLAKE2B 7fb2a4280fca23370169fbf04c3b9251065f06d56d7df29a26f3bbaf642e3296e400a23cc3c7524a830cee0dd881e598569c82bbcfacbec35198dd564d379828 SHA512 9516699dbfab66505053d701a31440ce0ca16484b6b0f60b072f6d5a54740449c90ea96461e08d598933dd7f7803278dbc4e19df381f5b57c541b9d3de90c9d5 EBUILD votca-csg-1.6.1.ebuild 2369 BLAKE2B a6d8e7e9049f55f2e916614586bb6ec68e1223ea25cff260ee884f94f137afb798c51983ab7df7b54e918fc1b9eb4c315e380b1a4649e361b999753d11e5c210 SHA512 f72714b948a8c0ca93061aeeb9ff3bc358d8b0c0b5e369dbb732569ad302edf9198753e8e0921fae9cab5deb6ef3e5111d921c3fd4c0a4a8ec3deb41afb43825 EBUILD votca-csg-1.6.2.ebuild 2340 BLAKE2B 97934fdd4b56cfbc58d5c2f47179ed3f747600ae870fe86fc7829fcdecb8e72e67ec129b49cc25e0a04b1dccb878ae79f7e693f59184da4e447eacbceb794b12 SHA512 30e0ef70ef8cf7c791a8579b01440fb7013ed4344a2132e955e17d1b8a5edac7982dae46d796122f8066584583f4b9356a478b512334ec4f0dae647ed4fa8f6e +EBUILD votca-csg-1.6.3.ebuild 2340 BLAKE2B 97934fdd4b56cfbc58d5c2f47179ed3f747600ae870fe86fc7829fcdecb8e72e67ec129b49cc25e0a04b1dccb878ae79f7e693f59184da4e447eacbceb794b12 SHA512 30e0ef70ef8cf7c791a8579b01440fb7013ed4344a2132e955e17d1b8a5edac7982dae46d796122f8066584583f4b9356a478b512334ec4f0dae647ed4fa8f6e EBUILD votca-csg-1.6.ebuild 2365 BLAKE2B 585240513e8b06c9c35aab0dfb75962c59e2d42853837eaa67d86c728c5cd3d8485061a4974c71898caba41d6d44a1cf93ba27c16824427b767f965e8f9a07ab SHA512 38b6ff068367ac79717f9a364b2b6a83824cec0c804af934f15d3f19ca1cf50eddd8b94cc64c0b035724a6abca2f32a40ec598396c646f5a31c0ea0748bff976 EBUILD votca-csg-1.6_rc1.ebuild 2358 BLAKE2B 5124239dade6f735c1f1da0071e30bf245728431a46f4361271d1eea9962249ff1bcc621db193f69ae04b61343aaafa01c64cfb4a131c6ce83b9135c5a7f39c5 SHA512 a8f2298c212299689a96d4a15e73b851725f45c6ad9fc20610a155625c5d58d1d462ba7c01fdd206fba8b43fe032b65f992ee58107e1245565cb482f8507d6ac EBUILD votca-csg-9999.ebuild 2346 BLAKE2B 4d668ea57aae259c3eb414bb199748526ba525b1fb7b8d5a04d85ba4798d89d0b75ea514d3cfb2c45227f545b12a566183a11eb654f96ab06aad270250f36266 SHA512 8365c0e1b29d830dcba136eae22ec834c89dcb07c0c987680b843a9f666411998262cd52ae19fc19efae3339629a4f942603af938029d33ab21dd09201df8047 diff --git a/sci-chemistry/votca-csg/votca-csg-1.6.3.ebuild b/sci-chemistry/votca-csg/votca-csg-1.6.3.ebuild new file mode 100644 index 000000000000..c77bb3e40fa8 --- /dev/null +++ b/sci-chemistry/votca-csg/votca-csg-1.6.3.ebuild @@ -0,0 +1,92 @@ +# Copyright 1999-2020 Gentoo Authors +# Distributed under the terms of the GNU General Public License v2 + +EAPI=7 + +CMAKE_MAKEFILE_GENERATOR="ninja" + +inherit bash-completion-r1 cmake multilib + +IUSE="doc examples extras +gromacs hdf5" +PDEPEND="extras? ( ~sci-chemistry/${PN}apps-${PV} )" +if [ "${PV}" != "9999" ]; then + SRC_URI="https://github.com/${PN/-//}/archive/v${PV}.tar.gz -> ${P}.tar.gz + doc? ( https://github.com/${PN/-//}-manual/releases/download/v${PV}/${PN}-manual-${PV}.pdf ) + examples? ( https://github.com/${PN/-//}-tutorials/archive/v${PV}.tar.gz -> ${PN}-tutorials-${PV}.tar.gz )" + KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-macos" + S="${WORKDIR}/${P#votca-}" +else + inherit git-r3 + EGIT_REPO_URI="https://github.com/${PN/-//}.git" + KEYWORDS="" + PDEPEND="${PDEPEND} doc? ( ~app-doc/${PN}-manual-${PV} )" +fi + +DESCRIPTION="Votca coarse-graining engine" +HOMEPAGE="http://www.votca.org" + +LICENSE="Apache-2.0" +SLOT="0" + +RDEPEND=" + ~sci-libs/votca-tools-${PV} + >=dev-cpp/eigen-3.3 + gromacs? ( sci-chemistry/gromacs:= ) + hdf5? ( sci-libs/hdf5 ) + dev-lang/perl + app-shells/bash:*" + +DEPEND="${RDEPEND} + >=app-text/txt2tags-2.5 + virtual/pkgconfig" + +DOCS=( README.md NOTICE CHANGELOG.md ) + +src_unpack() { + if [[ ${PV} != *9999 ]]; then + default + else + git-r3_src_unpack + if use examples; then + EGIT_REPO_URI="https://github.com/${PN/-//}-tutorials.git" + EGIT_BRANCH="master" + EGIT_CHECKOUT_DIR="${WORKDIR}/${PN#votca-}-tutorials"\ + git-r3_src_unpack + fi + fi +} + +src_configure() { + mycmakeargs=( + -DWITH_GMX=$(usex gromacs) + -DCMAKE_DISABLE_FIND_PACKAGE_HDF5=$(usex '!hdf5') + -DWITH_RC_FILES=OFF + ) + 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 doc; then + [[ ${PV} != *9999* ]] && dodoc "${DISTDIR}/${PN}-manual-${PV}.pdf" + fi + 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 +} |