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sci-chemistry/GromacsWrapper: add 0.8.5

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Signed-off-by: Pacho Ramos <pacho@gentoo.org>
This commit is contained in:
Pacho Ramos
2023-09-17 18:29:25 +02:00
parent 6257281bb1
commit dde2c49eca
2 changed files with 41 additions and 0 deletions
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sci-chemistry/GromacsWrapper/GromacsWrapper-0.8.5.ebuild
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# 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
sci-chemistry/GromacsWrapper/Manifest
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DIST GromacsWrapper-0.8.2.tar.gz 1954926 BLAKE2B c05995667f925a7519e07e59519e985693effa2fd511d228d236bff978d05430d422003e1360f9fda26564e40bb69183ae8e9b7334e0427c2b177f019df38a6a SHA512 b8a3e7da43eaabaf0fe12f4c06ff80f018847f9386c16eb66c96b3840c66b79d02ee47e675c08ed81df0ef495261c3b557d64c62caac0e484f661ef6b3a5be73
DIST GromacsWrapper-0.8.4.tar.gz 1955167 BLAKE2B 59f0301263eefaa4d7c139b34a48172c218a76f0f9488477d6203d9cd732098468dae5a73ff46aa74eb2b4433268c77bc265e506129e4c14a357042453d5f97f SHA512 822edc33c77ca4dbfbc1e4172686744345ed3c0d2305f4b19abab15576a1433bbb3b23b96f637398ad4f72cd5414d96ee531ab4a329d3acb462d90b95437a6a5
DIST GromacsWrapper-0.8.5.tar.gz 1958570 BLAKE2B b8f79721a7566117206818144fc7087c4634d7fb71c77abef63dd9565a0655ce6b4a259ea5bf9cb3b5bc13df8f428f58e514f7871192d27a6d463e758e27f4b3 SHA512 8800afdbe92edad35df58e825546797ede1738b9029df0fb57a96e377d7be94f3d21fe1df9d5cb4490d12b984972d63d87e673d3d33af60a7dc8d0453574a5c6