commit: 618bc6c662f2658d4e245c75143a2d3189015f91
Author: Pacho Ramos <pacho <AT> gentoo <DOT> org>
AuthorDate: Tue May 2 18:33:23 2023 +0000
Commit: Pacho Ramos <pacho <AT> gentoo <DOT> org>
CommitDate: Tue May 2 18:42:46 2023 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=618bc6c6
sci-chemistry/MDAnalysis: add 2.4.3
Signed-off-by: Pacho Ramos <pacho <AT> gentoo.org>
sci-chemistry/MDAnalysis/MDAnalysis-2.4.3.ebuild | 39 ++++++++++++++++++++++++
sci-chemistry/MDAnalysis/Manifest | 1 +
2 files changed, 40 insertions(+)
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
