diff options
| author |   Pacho Ramos <pacho@gentoo.org> | 2023-06-19 15:48:34 +0200 |
|---|---|---|
| committer | Pacho Ramos <pacho@gentoo.org> | 2023-06-19 16:00:19 +0200 |
| commit | ea0092118654e1e058a6d2b7f35687885e176ec8 (patch) | |
| tree | f20bd33c194a38848bf4c81338394a2f2a545667 /sci-chemistry | |
| parent | dev-python/pypdf: Require more pillow codecs for tests (diff) | |
| download | gentoo-ea0092118654e1e058a6d2b7f35687885e176ec8.tar.gz gentoo-ea0092118654e1e058a6d2b7f35687885e176ec8.tar.bz2 gentoo-ea0092118654e1e058a6d2b7f35687885e176ec8.zip | |
sci-chemistry/GromacsWrapper: add 0.8.4
Signed-off-by: Pacho Ramos <pacho@gentoo.org>
Diffstat (limited to 'sci-chemistry')
| -rw-r--r-- | sci-chemistry/GromacsWrapper/GromacsWrapper-0.8.4.ebuild | 40 | ||||
| -rw-r--r-- | sci-chemistry/GromacsWrapper/Manifest | 1 |
2 files changed, 41 insertions, 0 deletions
diff --git a/sci-chemistry/GromacsWrapper/GromacsWrapper-0.8.4.ebuild b/sci-chemistry/GromacsWrapper/GromacsWrapper-0.8.4.ebuild new file mode 100644 index 000000000000..e5c508fd6ca1 --- /dev/null +++ b/sci-chemistry/GromacsWrapper/GromacsWrapper-0.8.4.ebuild @@ -0,0 +1,40 @@ +# Copyright 1999-2023 Gentoo Authors +# Distributed under the terms of the GNU General Public License v2 + +EAPI=8 + +PYTHON_COMPAT=( python3_{9..11} ) +DISTUTILS_USE_PEP517=setuptools + +if [[ ${PV} = *9999* ]]; then + scm_eclass=git-r3 + EGIT_REPO_URI="https://github.com/Becksteinlab/${PN}.git" + EGIT_BRANCH="develop" + SRC_URI="" +else + scm_eclass=vcs-snapshot + SRC_URI="https://github.com/Becksteinlab/${PN}/archive/release-${PV}.tar.gz -> ${P}.tar.gz" + KEYWORDS="~amd64 ~x86" +fi + +inherit distutils-r1 ${scm_eclass} + +DESCRIPTION="Python framework for Gromacs" +HOMEPAGE="https://gromacswrapper.readthedocs.io" + +LICENSE="GPL-3 LGPL-3" +SLOT="0" +IUSE="" + +RDEPEND=" + dev-python/six[${PYTHON_USEDEP}] + dev-python/numpy[${PYTHON_USEDEP}] + dev-python/matplotlib[${PYTHON_USEDEP}] + sci-libs/numkit[${PYTHON_USEDEP}] +" +BDEPEND=" + ${RDEPEND} + test? ( >=dev-python/pandas-0.17[${PYTHON_USEDEP}] ) +" + +distutils_enable_tests pytest diff --git a/sci-chemistry/GromacsWrapper/Manifest b/sci-chemistry/GromacsWrapper/Manifest index 38f5f6269fbc..413b6307fb54 100644 --- a/sci-chemistry/GromacsWrapper/Manifest +++ b/sci-chemistry/GromacsWrapper/Manifest @@ -1 +1,2 @@ DIST GromacsWrapper-0.8.2.tar.gz 1954926 BLAKE2B c05995667f925a7519e07e59519e985693effa2fd511d228d236bff978d05430d422003e1360f9fda26564e40bb69183ae8e9b7334e0427c2b177f019df38a6a SHA512 b8a3e7da43eaabaf0fe12f4c06ff80f018847f9386c16eb66c96b3840c66b79d02ee47e675c08ed81df0ef495261c3b557d64c62caac0e484f661ef6b3a5be73 +DIST GromacsWrapper-0.8.4.tar.gz 1955167 BLAKE2B 59f0301263eefaa4d7c139b34a48172c218a76f0f9488477d6203d9cd732098468dae5a73ff46aa74eb2b4433268c77bc265e506129e4c14a357042453d5f97f SHA512 822edc33c77ca4dbfbc1e4172686744345ed3c0d2305f4b19abab15576a1433bbb3b23b96f637398ad4f72cd5414d96ee531ab4a329d3acb462d90b95437a6a5 |