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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} )
inherit distutils-r1 pypi
DESCRIPTION="Read, write and analyze MD trajectories with only a few lines of Python code"
HOMEPAGE="https://mdtraj.org"
SLOT="0"
LICENSE="LGPL-2.1+"
KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux"
RDEPEND="
dev-python/astunparse[${PYTHON_USEDEP}]
dev-python/astor[${PYTHON_USEDEP}]
dev-python/numpy[${PYTHON_USEDEP}]
dev-python/pandas[${PYTHON_USEDEP}]
dev-python/pytables[${PYTHON_USEDEP}]
dev-python/pyparsing[${PYTHON_USEDEP}]
dev-python/networkx[${PYTHON_USEDEP}]
dev-python/scipy[${PYTHON_USEDEP}]
"
DEPEND="${RDEPEND}
test? (
dev-python/ipykernel[${PYTHON_USEDEP}]
dev-python/jupyter-client[${PYTHON_USEDEP}]
dev-python/nbformat[${PYTHON_USEDEP}]
sci-libs/scikit-learn[${PYTHON_USEDEP}]
)
"
# <cython-3 for bug #911646
BDEPEND="
<dev-python/cython-3[${PYTHON_USEDEP}]
"
distutils_enable_tests --install pytest
PATCHES=(
"${FILESDIR}/${P}-python311.patch"
)
python_prepare_all() {
sed -e "s:re.match('build.*(mdtraj.*)', output_dir).group(1):'.':g" \
-i basesetup.py || die
distutils-r1_python_prepare_all
}
|
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