sci-chemistry/mdtraj/mdtraj-1.9.1.ebuild


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# Copyright 1999-2020 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2

EAPI=6

PYTHON_COMPAT=( python3_6 )
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="test"
RESTRICT="!test? ( test )"

RDEPEND="
	dev-python/setuptools[${PYTHON_USEDEP}]
	dev-python/numpy[${PYTHON_USEDEP}]
	sci-libs/scipy[${PYTHON_USEDEP}]
	dev-python/pandas[${PYTHON_USEDEP}]
	dev-python/pytables[${PYTHON_USEDEP}]
	dev-python/networkx[${PYTHON_USEDEP}]
"
DEPEND="${RDEPEND}
	test? ( dev-python/nose[${PYTHON_USEDEP}] )"

python_prepare() {
	sed -e "s:re.match('build.*(mdtraj.*)', output_dir).group(1):'.':g" \
		-i basesetup.py || die
	distutils-r1_python_prepare_all
}