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| author | root <root@alpha.trunkmasters.com> | 2026-07-02 18:47:22 -0500 |
|---|---|---|
| committer | root <root@alpha.trunkmasters.com> | 2026-07-02 18:47:22 -0500 |
| commit | 42e69f3ef953ee9c23b6aa5ec29c5f73e1e73fc1 (patch) | |
| tree | 262c3d532218c61a15f11cfb68da6b512d3e9200 /sci-chemistry | |
| parent | 062a52bd61f4f8d6a9eb95e7a1057ad2970ff3d2 (diff) | |
| download | baldeagleos-repo-42e69f3ef953ee9c23b6aa5ec29c5f73e1e73fc1.tar.gz baldeagleos-repo-42e69f3ef953ee9c23b6aa5ec29c5f73e1e73fc1.tar.xz baldeagleos-repo-42e69f3ef953ee9c23b6aa5ec29c5f73e1e73fc1.zip | |
Adding metadata
Diffstat (limited to 'sci-chemistry')
| -rw-r--r-- | sci-chemistry/MDAnalysis/MDAnalysis-2.10.0.ebuild | 56 | ||||
| -rw-r--r-- | sci-chemistry/MDAnalysis/Manifest | 1 | ||||
| -rw-r--r-- | sci-chemistry/chemex/Manifest | 2 | ||||
| -rw-r--r-- | sci-chemistry/chemex/chemex-2026.6.1.ebuild (renamed from sci-chemistry/chemex/chemex-2026.5.0.ebuild) | 0 |
4 files changed, 58 insertions, 1 deletions
diff --git a/sci-chemistry/MDAnalysis/MDAnalysis-2.10.0.ebuild b/sci-chemistry/MDAnalysis/MDAnalysis-2.10.0.ebuild new file mode 100644 index 000000000000..c4d2031ad01d --- /dev/null +++ b/sci-chemistry/MDAnalysis/MDAnalysis-2.10.0.ebuild @@ -0,0 +1,56 @@ +# Copyright 1999-2026 Gentoo Authors +# Distributed under the terms of the GNU General Public License v2 + +EAPI=8 + +PYTHON_COMPAT=( python3_{13..14} ) + +DISTUTILS_USE_PEP517=setuptools +DISTUTILS_EXT=1 +PYPI_NO_NORMALIZE=1 + +inherit distutils-r1 + +DESCRIPTION="A python library to analyze and manipulate molecular dynamics trajectories" +HOMEPAGE="https://www.mdanalysis.org https://github.com/MDAnalysis/mdanalysis" +SRC_URI="https://github.com/${PN}/${PN}/archive/refs/tags/package-${PV}.tar.gz -> ${P}.gh.tar.gz" +S="${WORKDIR}/mdanalysis-package-${PV}/package" + +LICENSE="GPL-2" + +SLOT="0" + +KEYWORDS="~amd64" + +# TODO: fix this +# ImportError: MDAnalysis not installed properly. This can happen if your C extensions have not been built. +RESTRICT="test" + +RDEPEND=" + >=dev-python/numpy-1.16.0[${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="${RDEPEND} + dev-python/cython[${PYTHON_USEDEP}] +" + +distutils_enable_tests pytest + +src_prepare() { + # fix deprecated NPY API + sed \ + -e "s:NPY_IN_ARRAY:NPY_ARRAY_IN_ARRAY:g" \ + -e "s:NPY_ALIGNED:NPY_ARRAY_ALIGNED:g" \ + -e "s:NPY_ENSURECOPY:NPY_ARRAY_ENSURECOPY:g" \ + -i MDAnalysis/lib/src/transformations/transformations.c || die + distutils-r1_src_prepare +} diff --git a/sci-chemistry/MDAnalysis/Manifest b/sci-chemistry/MDAnalysis/Manifest index a3cbff31c9f3..7a7b7c671754 100644 --- a/sci-chemistry/MDAnalysis/Manifest +++ b/sci-chemistry/MDAnalysis/Manifest @@ -1 +1,2 @@ +DIST MDAnalysis-2.10.0.gh.tar.gz 63494206 BLAKE2B 03fd8726bd5ef487bcf8475ada6a06d624a8da918a258aa8468469ea4de6e7ec3315e6cd7430a7beedd289a34640ebc4ba929ca86b83e95ee882a919dfd6a2a8 SHA512 b0fdbb4f75418be1b05a042b1be06320a0702c3dc7e50d3c161f1ade5f885e9548ec40c296b4bd65435e6552219142304dbe7db4c6af432feb2d2657f0071aa9 DIST MDAnalysis-2.9.0.gh.tar.gz 62932576 BLAKE2B 785c1919c383d646222943375e5ce7fa886c32d3db51ce3973da516cf629ce6081f2d16fe548cd32aaf9e5435374532266046fd54e8ad63870e7e3e17ef18c27 SHA512 fa13da003ede823a4a9ffb6e396f80a8b7e5a858431e9c0a78ded734d9872fa4f7ebf28e5e1a0bb45add5a2a9c05206be571371607879df0d5ff0eda750d1885 diff --git a/sci-chemistry/chemex/Manifest b/sci-chemistry/chemex/Manifest index 4f4a3e63e643..a978b8711685 100644 --- a/sci-chemistry/chemex/Manifest +++ b/sci-chemistry/chemex/Manifest @@ -1,2 +1,2 @@ -DIST chemex-2026.5.0.tar.gz 139373 BLAKE2B 226e3e6119b7c81567ef949672371190b76e69d0551c75137cf95d0b16875f2dba83c3dd1be29def6fb9002d779422ef1f683603ef2eb1e398eb419edf508493 SHA512 831978bf149d841660e5ea98eab18a2d21b7969fbfc7f36cfcf74cada5d2fa19fdfc585d4aaffc85b3b0c1cb8124d327716ae23ffa63bf3ac485187fad5934ae DIST chemex-2026.6.0.tar.gz 155098 BLAKE2B 7930a4b59eea06d02059a09805c9812c3c04d1faecfb0718f866c0b79c53f7542988fa269908c7bf8ad81805265ac42012581e77442c49e832a9d7525abc58e5 SHA512 61d2a3ba9afd2a3e789a39057e49383147949bd538940d00bbe20367637ce8ddcaa15ab67b9c934a6e5ac59685106ed3238e5b7437a07167e1a95b2689d12307 +DIST chemex-2026.6.1.tar.gz 159570 BLAKE2B 7d2b34a4594714193d06570fd7c84fe7a6ae09bf0ace537cbdc521274445bd2433a4b6f5597c3264a47ade085d10ed2e4765d88b5708776b80b0c4e7580ebfaf SHA512 7ff714dd4b3d575e5e68cf153556dcb58a942116b4b2e160311352e1dc5987886ed6d25176738f4608ff15da27b7a1e778efe95cd6a353ab8e9e33a3f689cb68 diff --git a/sci-chemistry/chemex/chemex-2026.5.0.ebuild b/sci-chemistry/chemex/chemex-2026.6.1.ebuild index ad9ff99811c4..ad9ff99811c4 100644 --- a/sci-chemistry/chemex/chemex-2026.5.0.ebuild +++ b/sci-chemistry/chemex/chemex-2026.6.1.ebuild |