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| author |   Pacho Ramos <pacho@gentoo.org> | 2023-05-02 20:33:23 +0200 |
|---|---|---|
| committer | Pacho Ramos <pacho@gentoo.org> | 2023-05-02 20:42:46 +0200 |
| commit | 618bc6c662f2658d4e245c75143a2d3189015f91 (patch) | |
| tree | 4b9c8e1b55752835e6f853ef531442226aca7c4b /sci-chemistry | |
| parent | sci-chemistry/pymol: enable py3.11 (diff) | |
| download | gentoo-618bc6c662f2658d4e245c75143a2d3189015f91.tar.gz gentoo-618bc6c662f2658d4e245c75143a2d3189015f91.tar.bz2 gentoo-618bc6c662f2658d4e245c75143a2d3189015f91.zip | |
sci-chemistry/MDAnalysis: add 2.4.3
Signed-off-by: Pacho Ramos <pacho@gentoo.org>
Diffstat (limited to 'sci-chemistry')
| -rw-r--r-- | sci-chemistry/MDAnalysis/MDAnalysis-2.4.3.ebuild | 39 | ||||
| -rw-r--r-- | sci-chemistry/MDAnalysis/Manifest | 1 |
2 files changed, 40 insertions, 0 deletions
diff --git a/sci-chemistry/MDAnalysis/MDAnalysis-2.4.3.ebuild b/sci-chemistry/MDAnalysis/MDAnalysis-2.4.3.ebuild new file mode 100644 index 000000000000..5e7d91b36bf3 --- /dev/null +++ b/sci-chemistry/MDAnalysis/MDAnalysis-2.4.3.ebuild @@ -0,0 +1,39 @@ +# Copyright 1999-2023 Gentoo Authors +# Distributed under the terms of the GNU General Public License v2 + +EAPI=8 + +PYTHON_COMPAT=( python3_{9..10} ) + +DISTUTILS_USE_PEP517=setuptools +PYPI_NO_NORMALIZE=1 + +inherit distutils-r1 pypi + +DESCRIPTION="A python library to analyze and manipulate molecular dynamics trajectories" +HOMEPAGE="https://www.mdanalysis.org" + +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 pytest diff --git a/sci-chemistry/MDAnalysis/Manifest b/sci-chemistry/MDAnalysis/Manifest index 81a4e8053d86..ce48cb3b96d6 100644 --- a/sci-chemistry/MDAnalysis/Manifest +++ b/sci-chemistry/MDAnalysis/Manifest @@ -1 +1,2 @@ DIST MDAnalysis-2.4.1.tar.gz 3746899 BLAKE2B af63f74a31dcde8a68cbffe5158f2f955d5eda1345bcff6a19e8df3284101b1e85006de3326d29d4fe1867dc6b0c5f55467b9e3242704f97440c6a43b52f47b8 SHA512 796dad98c26bd36f30db166bea5ff782aa5e3ac5cddb1675b628fb753a4f645fb27e06d3986047e2ba21a22cd91f96d0ba8e529256ed960a2b7cf95204076927 +DIST MDAnalysis-2.4.3.tar.gz 3747565 BLAKE2B 733be78aa3e57e8bbb9c291606a86d9100cb904cc587fa3e44c4205596b4da7eb5c2247388655dcd145b45ca6ecb47a3f95d7d659d029232d1febd2ebc99ab51 SHA512 0870bc392ef8b8fbae68cf60d1df2f5d413f4d1235ca795421061fd32a8fe97867d5bd610288237a59d1075f31cc43d281ab2f1e7e8bb0767dac7d278b8453d8 |