diff options
Diffstat (limited to 'sci-chemistry/mdtraj/mdtraj-1.9.4.ebuild')
-rw-r--r-- | sci-chemistry/mdtraj/mdtraj-1.9.4.ebuild | 43 |
1 files changed, 43 insertions, 0 deletions
diff --git a/sci-chemistry/mdtraj/mdtraj-1.9.4.ebuild b/sci-chemistry/mdtraj/mdtraj-1.9.4.ebuild new file mode 100644 index 000000000000..5537daa6a536 --- /dev/null +++ b/sci-chemistry/mdtraj/mdtraj-1.9.4.ebuild @@ -0,0 +1,43 @@ +# Copyright 1999-2020 Gentoo Authors +# Distributed under the terms of the GNU General Public License v2 + +EAPI=7 +PYTHON_COMPAT=( python3_{6,7} ) +DISTUTILS_USE_SETUPTOOLS=rdepend + +inherit distutils-r1 + +DESCRIPTION="Read, write and analyze MD trajectories with only a few lines of Python code" +HOMEPAGE="http://mdtraj.org" +SRC_URI="mirror://pypi/${PN:0:1}/${PN}/${P}.tar.gz" + +SLOT="0" +LICENSE="GPL-2" +KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux" +IUSE="" + +RDEPEND=" + dev-python/astor[${PYTHON_USEDEP}] + dev-python/numpy[${PYTHON_USEDEP}] + dev-python/pandas[${PYTHON_USEDEP}] + dev-python/pytables[${PYTHON_USEDEP}] + dev-python/networkx[${PYTHON_USEDEP}] + sci-libs/scipy[${PYTHON_USEDEP}] +" +DEPEND="${RDEPEND} + test? ( + dev-python/jupyter_client[${PYTHON_USEDEP}] + dev-python/nbformat[${PYTHON_USEDEP}] + ) +" + +distutils_enable_tests pytest + +# Tests fail (in previous ebuild versions they weren't even run +RESTRICT="test" + +python_prepare() { + sed -e "s:re.match('build.*(mdtraj.*)', output_dir).group(1):'.':g" \ + -i basesetup.py || die + distutils-r1_python_prepare_all +} |