From 2719f73b6813d11d13a9650cdd2ab8ec6e69385d Mon Sep 17 00:00:00 2001 From: V3n3RiX Date: Sat, 9 Jul 2022 15:43:36 +0100 Subject: gentoo resync : 09.07.2022 --- sci-chemistry/propka/propka-3.4.0.ebuild | 28 ++++++++++++++++++++++++++++ 1 file changed, 28 insertions(+) create mode 100644 sci-chemistry/propka/propka-3.4.0.ebuild (limited to 'sci-chemistry/propka/propka-3.4.0.ebuild') diff --git a/sci-chemistry/propka/propka-3.4.0.ebuild b/sci-chemistry/propka/propka-3.4.0.ebuild new file mode 100644 index 000000000000..81b20fbee2e0 --- /dev/null +++ b/sci-chemistry/propka/propka-3.4.0.ebuild @@ -0,0 +1,28 @@ +# Copyright 1999-2022 Gentoo Authors +# Distributed under the terms of the GNU General Public License v2 + +EAPI=8 + +PYTHON_COMPAT=( python3_{9..11} ) +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 -> ${P}.gh.tar.gz" + +SLOT="0" +LICENSE="LGPL-2.1" +KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux" + +RDEPEND="dev-python/numpy[${PYTHON_USEDEP}]" + +distutils_enable_tests pytest + +python_prepare_all() { + # Do not install the tests + sed -e "/exclude/s:scripts:\', \'tests:g" \ + -i setup.py || die + distutils-r1_python_prepare_all +} -- cgit v1.2.3