commit: bb7946c448a325cf280c0c04c7362faed65f9b73 Author: Pacho Ramos <pacho <AT> gentoo <DOT> org> AuthorDate: Tue Jul 30 19:48:22 2024 +0000 Commit: Pacho Ramos <pacho <AT> gentoo <DOT> org> CommitDate: Tue Jul 30 21:11:52 2024 +0000 URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=bb7946c4
sci-chemistry/propka: add 3.5.1 Closes: https://bugs.gentoo.org/929761 Signed-off-by: Pacho Ramos <pacho <AT> gentoo.org> sci-chemistry/propka/Manifest | 1 + sci-chemistry/propka/propka-3.5.1.ebuild | 28 ++++++++++++++++++++++++++++ 2 files changed, 29 insertions(+) diff --git a/sci-chemistry/propka/Manifest b/sci-chemistry/propka/Manifest index a3ae32cc089e..18e3621e2c6f 100644 --- a/sci-chemistry/propka/Manifest +++ b/sci-chemistry/propka/Manifest @@ -1 +1,2 @@ DIST propka-3.4.0.gh.tar.gz 363641 BLAKE2B 87f495ba69028593cf3ebf98ed33da0944f7a3833f2d08cae4f0a0b5cbe2f3a67e9812685b896a7d89c88ba25653861f135dbac53dc6df7af426a290bacb3d22 SHA512 2ce431c66374d0692acb7504661caa870ab6460ace3a6478f88c1d46a7bfcd82c748bf153a1ce2ea6d1611bc4bbf2351c4f5149f4578e5f8a9f9ec8385298fe9 +DIST propka-3.5.1.gh.tar.gz 376176 BLAKE2B ef4f5f51a6d08da566aa8dc4d2ec73ca028137031dbe49ca329589fe9ceb7cdda672cac755735a11bed79db1f31be5401b083239214177c2d459207ae998ae29 SHA512 3a9a7fd773700850f14c3ef1cc4ef7614242ea1191001fdca6afd44953486f208cbc067b84752c89e97e82ef6bac5561907b2aeafbee80c4d83cbf3ab443aaa2 diff --git a/sci-chemistry/propka/propka-3.5.1.ebuild b/sci-chemistry/propka/propka-3.5.1.ebuild new file mode 100644 index 000000000000..2c9eb2ee4f27 --- /dev/null +++ b/sci-chemistry/propka/propka-3.5.1.ebuild @@ -0,0 +1,28 @@ +# Copyright 1999-2024 Gentoo Authors +# Distributed under the terms of the GNU General Public License v2 + +EAPI=8 + +PYTHON_COMPAT=( python3_{10..12} ) +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 +}
