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# Copyright 1999-2026 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
EAPI=8
PYTHON_COMPAT=( python3_{13..14} )
DISTUTILS_USE_PEP517=setuptools
inherit distutils-r1
DESCRIPTION="pKa-value prediction of ionizable groups in protein and protein-ligand complexes"
HOMEPAGE="https://github.com/jensengroup/propka"
SRC_URI="https://github.com/jensengroup/propka/archive/refs/tags/v${PV}.tar.gz -> ${P}.gh.tar.gz"
LICENSE="LGPL-2.1"
SLOT="0"
KEYWORDS="~amd64 ~x86"
RDEPEND="dev-python/numpy[${PYTHON_USEDEP}]"
distutils_enable_tests pytest
PATCHES=(
"${FILESDIR}/${PN}-3.5.1-python3.14.patch"
)
python_prepare_all() {
# Do not install the tests
sed -e "/exclude/s:scripts:\', \'tests:g" \
-i setup.py || die
distutils-r1_python_prepare_all
}
python_test() {
epytest -k 'not test_molecular_container'
}
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