diff options
| author | V3n3RiX <venerix@koprulu.sector> | 2022-01-04 01:27:12 +0000 |
|---|---|---|
| committer | V3n3RiX <venerix@koprulu.sector> | 2022-01-04 01:27:12 +0000 |
| commit | 3517852e3b8a68d1e997770fc0650c5053bafc6c (patch) | |
| tree | 44068672445b1418489aed82de58df3c470289e7 /sci-chemistry/MDAnalysis | |
| parent | 0f15659d48c193027158492acb726297501202c5 (diff) | |
gentoo resync : 04.01.2022
Diffstat (limited to 'sci-chemistry/MDAnalysis')
| -rw-r--r-- | sci-chemistry/MDAnalysis/MDAnalysis-2.0.0.ebuild | 37 | ||||
| -rw-r--r-- | sci-chemistry/MDAnalysis/Manifest | 2 |
2 files changed, 39 insertions, 0 deletions
diff --git a/sci-chemistry/MDAnalysis/MDAnalysis-2.0.0.ebuild b/sci-chemistry/MDAnalysis/MDAnalysis-2.0.0.ebuild new file mode 100644 index 000000000000..aee4e82b683e --- /dev/null +++ b/sci-chemistry/MDAnalysis/MDAnalysis-2.0.0.ebuild @@ -0,0 +1,37 @@ +# Copyright 1999-2021 Gentoo Authors +# Distributed under the terms of the GNU General Public License v2 + +EAPI=8 + +PYTHON_COMPAT=( python3_{8..10} ) + +inherit distutils-r1 + +DESCRIPTION="A python library to analyze and manipulate molecular dynamics trajectories" +HOMEPAGE="https://www.mdanalysis.org" +SRC_URI="mirror://pypi/M/${PN}/${P}.tar.gz" + +SLOT="0" +LICENSE="GPL-2" +KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux" + +# TODO: fix this +# ImportError: MDAnalysis not installed properly. This can happen if your C extensions have not been built. +RESTRICT="test" + +RDEPEND=" + >=dev-python/numpy-1.16.0[${PYTHON_USEDEP}] + >=dev-python/scipy-1.0.0[${PYTHON_USEDEP}] + >=sci-biology/biopython-1.71[${PYTHON_USEDEP}] + >=dev-python/networkx-1.0[${PYTHON_USEDEP}] + >=dev-python/GridDataFormats-0.4.0[${PYTHON_USEDEP}] + >=dev-python/joblib-0.12[${PYTHON_USEDEP}] + >=dev-python/matplotlib-1.5.1[${PYTHON_USEDEP}] + >=dev-python/mmtf-python-1.0.0[${PYTHON_USEDEP}] + >=dev-python/tqdm-4.43.0[${PYTHON_USEDEP}] + >=dev-python/gsd-1.9.3[${PYTHON_USEDEP}] + dev-python/threadpoolctl[${PYTHON_USEDEP}] +" +BDEPEND="${RDEPEND}" + +distutils_enable_tests nose diff --git a/sci-chemistry/MDAnalysis/Manifest b/sci-chemistry/MDAnalysis/Manifest index a308ba17a972..58c58ab114ef 100644 --- a/sci-chemistry/MDAnalysis/Manifest +++ b/sci-chemistry/MDAnalysis/Manifest @@ -1,3 +1,5 @@ DIST MDAnalysis-1.0.0.tar.gz 19552874 BLAKE2B dab625a898d71a67a37ac5b58eb23ded9487f475e3c76f6c335a0ed5b32a43785d0473d089fcfc56c07263d82248bf5ee7b50c513441b10fc97f97b49411cc5f SHA512 4a001f45695308dd5f296bd2850d5d585c065e6b0f55efca65d91e452d78c85f13fd614eca0176a8d330e14a1c9e8ccbb919c3d4ae995b1945d09dc3ad687195 +DIST MDAnalysis-2.0.0.tar.gz 3436654 BLAKE2B b29734dd61bfa1e4e1d6ead0eb9a2d00869d1adce18edf95b9368bdcc16b0d71d0d6536a7df48787034a623bf52585e1636842dcaaa9dde08a69576868c1657b SHA512 037eb3c709b9ddbdb2ba9b26a6632ff99a95331c3968176573076e4e208c8644c3ea262e1e9880f185eb080ff90180d887444cab0dfbfad04fc254d87f1ff986 EBUILD MDAnalysis-1.0.0.ebuild 1115 BLAKE2B ab8aae2678843840557bfde1866890cbe671cab0f670d1dc253523d070e231b44268d803b8c3c03648d8536f2cf6a734affc8fbcbb9ae62956deb60d1254b19c SHA512 7099a21fcfef94938f5c2b7bc590fbebadeb94ccc35f73f36abc470038c7aa45ea5563390eb09db9162f2060a57ebba69a2c984c2c8b560247f03acb8b446c4c +EBUILD MDAnalysis-2.0.0.ebuild 1128 BLAKE2B e51e404e7254e614abab6856948939b5673d13940cf60d5e6dc77d08e97a401d4af00e56cf90ed9bbfca0acd319f9d328a4479c222fc5ccc0a5ddb8e41788f56 SHA512 6029cd5e527333da9aa7cb52560436eaa7424a87a3c22499f6aeb99b402525dd87a43ae7487a669df67890942f7bfd4d6d561366d002e2c0138e3f2e35f02601 MISC metadata.xml 497 BLAKE2B ddd8c6379dfe6b6fe33160d31bda254774e0c8eb5f862cc51560097efc5c273fa972388c6fe8fb1bbedc11ab125a5487bb1d19002489be967fa3e8e209d7cc81 SHA512 03c1eb9bef1bc10d600169b221c65c87794f8b9bf8d0efb1dc6ddaa61a09d665722ed7d32087e3137b36aa7256b76371b9ce2cc92b34b1ed7d1c78ede6550287 |