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| author |   Andrew Ammerlaan <andrewammerlaan@gentoo.org> | 2022-07-06 13:53:15 +0200 |
|---|---|---|
| committer | Andrew Ammerlaan <andrewammerlaan@gentoo.org> | 2022-07-06 13:53:30 +0200 |
| commit | 75c1e5775adf387c9f56c5eb37f5c4114b6cef46 (patch) | |
| tree | d7dd04964a5634bfdfb14444c5f7341f2e7bf2ec /sci-chemistry/propka/propka-3.4.0.ebuild | |
| parent | app-text/zotero-bin: drop 6.0.8 (diff) | |
| download | gentoo-75c1e5775adf387c9f56c5eb37f5c4114b6cef46.tar.gz gentoo-75c1e5775adf387c9f56c5eb37f5c4114b6cef46.tar.bz2 gentoo-75c1e5775adf387c9f56c5eb37f5c4114b6cef46.zip | |
sci-chemistry/propka: add 3.4.0
Closes: https://bugs.gentoo.org/832251
Signed-off-by: Andrew Ammerlaan <andrewammerlaan@gentoo.org>
Diffstat (limited to 'sci-chemistry/propka/propka-3.4.0.ebuild')
| -rw-r--r-- | sci-chemistry/propka/propka-3.4.0.ebuild | 28 |
1 files changed, 28 insertions, 0 deletions
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 +} |