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| author |   Andrew Ammerlaan <andrewammerlaan@gentoo.org> | 2021-12-28 14:59:50 +0100 |
|---|---|---|
| committer | Andrew Ammerlaan <andrewammerlaan@gentoo.org> | 2021-12-28 15:15:01 +0100 |
| commit | 92f34d724c7f8432501c18805fbab24a33e8122a (patch) | |
| tree | bc0cdea4d00b9c545664c481db7871087f20a3d6 /sci-chemistry/MDAnalysis | |
| parent | dev-tex/pythontex: add version 0.18, enable py3.10 (diff) | |
| download | gentoo-92f34d724c7f8432501c18805fbab24a33e8122a.tar.gz gentoo-92f34d724c7f8432501c18805fbab24a33e8122a.tar.bz2 gentoo-92f34d724c7f8432501c18805fbab24a33e8122a.zip | |
sci-chemistry/MDAnalysis: add version 2.0.0, enable py3.10
Package-Manager: Portage-3.0.30, Repoman-3.0.3
Signed-off-by: Andrew Ammerlaan <andrewammerlaan@gentoo.org>
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 | 1 |
2 files changed, 38 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 5a903a9f3b7f..721870b0e526 100644 --- a/sci-chemistry/MDAnalysis/Manifest +++ b/sci-chemistry/MDAnalysis/Manifest @@ -1 +1,2 @@ DIST MDAnalysis-1.0.0.tar.gz 19552874 BLAKE2B dab625a898d71a67a37ac5b58eb23ded9487f475e3c76f6c335a0ed5b32a43785d0473d089fcfc56c07263d82248bf5ee7b50c513441b10fc97f97b49411cc5f SHA512 4a001f45695308dd5f296bd2850d5d585c065e6b0f55efca65d91e452d78c85f13fd614eca0176a8d330e14a1c9e8ccbb919c3d4ae995b1945d09dc3ad687195 +DIST MDAnalysis-2.0.0.tar.gz 3436654 BLAKE2B b29734dd61bfa1e4e1d6ead0eb9a2d00869d1adce18edf95b9368bdcc16b0d71d0d6536a7df48787034a623bf52585e1636842dcaaa9dde08a69576868c1657b SHA512 037eb3c709b9ddbdb2ba9b26a6632ff99a95331c3968176573076e4e208c8644c3ea262e1e9880f185eb080ff90180d887444cab0dfbfad04fc254d87f1ff986 |