commit: 75c1e5775adf387c9f56c5eb37f5c4114b6cef46 Author: Andrew Ammerlaan <andrewammerlaan <AT> gentoo <DOT> org> AuthorDate: Wed Jul 6 11:53:15 2022 +0000 Commit: Andrew Ammerlaan <andrewammerlaan <AT> gentoo <DOT> org> CommitDate: Wed Jul 6 11:53:30 2022 +0000 URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=75c1e577
sci-chemistry/propka: add 3.4.0 Closes: https://bugs.gentoo.org/832251 Signed-off-by: Andrew Ammerlaan <andrewammerlaan <AT> gentoo.org> sci-chemistry/propka/Manifest | 1 + sci-chemistry/propka/metadata.xml | 1 + sci-chemistry/propka/propka-3.4.0.ebuild | 28 ++++++++++++++++++++++++++++ 3 files changed, 30 insertions(+) diff --git a/sci-chemistry/propka/Manifest b/sci-chemistry/propka/Manifest index 4141de909047..3ed3d129ddbf 100644 --- a/sci-chemistry/propka/Manifest +++ b/sci-chemistry/propka/Manifest @@ -1 +1,2 @@ DIST propka-3.2.0.tar.gz 73746 BLAKE2B f79e493d5a195b81dc5d11cc21b9ab16c8d1fa48f15f7e23e2b2936dfb8634fdb00c7838b8dbdb4a68726dab0f16e54522ad71d71b3273ac93c03a737ae06f04 SHA512 98f2240b28b33bab94cdbe9392062bb7f6b87e75b94c2af91e178f874a74d210601161ebc835c4d751b89d37b32348fdfb096e28cbf8e9237b3f472d3fb6b4fc +DIST propka-3.4.0.gh.tar.gz 363641 BLAKE2B 87f495ba69028593cf3ebf98ed33da0944f7a3833f2d08cae4f0a0b5cbe2f3a67e9812685b896a7d89c88ba25653861f135dbac53dc6df7af426a290bacb3d22 SHA512 2ce431c66374d0692acb7504661caa870ab6460ace3a6478f88c1d46a7bfcd82c748bf153a1ce2ea6d1611bc4bbf2351c4f5149f4578e5f8a9f9ec8385298fe9 diff --git a/sci-chemistry/propka/metadata.xml b/sci-chemistry/propka/metadata.xml index 03810a218076..5153791d2361 100644 --- a/sci-chemistry/propka/metadata.xml +++ b/sci-chemistry/propka/metadata.xml @@ -9,4 +9,5 @@ <remote-id type="pypi">propka</remote-id> <remote-id type="github">jensengroup/propka</remote-id> </upstream> + <stabilize-allarches/> </pkgmetadata> 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 +}
