From 009897642a869d630779716efc51af1554f72867 Mon Sep 17 00:00:00 2001 From: V3n3RiX Date: Sat, 29 Oct 2022 22:01:57 +0100 Subject: gentoo auto-resync : 29:10:2022 - 22:01:57 --- .../GromacsWrapper/GromacsWrapper-0.8.2.ebuild | 40 ++++++++++++++++++++++ 1 file changed, 40 insertions(+) create mode 100644 sci-chemistry/GromacsWrapper/GromacsWrapper-0.8.2.ebuild (limited to 'sci-chemistry/GromacsWrapper/GromacsWrapper-0.8.2.ebuild') diff --git a/sci-chemistry/GromacsWrapper/GromacsWrapper-0.8.2.ebuild b/sci-chemistry/GromacsWrapper/GromacsWrapper-0.8.2.ebuild new file mode 100644 index 000000000000..e1c1cccae2b8 --- /dev/null +++ b/sci-chemistry/GromacsWrapper/GromacsWrapper-0.8.2.ebuild @@ -0,0 +1,40 @@ +# Copyright 1999-2022 Gentoo Authors +# Distributed under the terms of the GNU General Public License v2 + +EAPI=7 + +PYTHON_COMPAT=( python3_{8..10} ) +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 -- cgit v1.2.3