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/Manifest | 6 ++--- sci-chemistry/propka/metadata.xml | 1 + sci-chemistry/propka/propka-3.2.0.ebuild | 40 -------------------------------- sci-chemistry/propka/propka-3.4.0.ebuild | 28 ++++++++++++++++++++++ 4 files changed, 32 insertions(+), 43 deletions(-) delete mode 100644 sci-chemistry/propka/propka-3.2.0.ebuild create mode 100644 sci-chemistry/propka/propka-3.4.0.ebuild (limited to 'sci-chemistry/propka') diff --git a/sci-chemistry/propka/Manifest b/sci-chemistry/propka/Manifest index 229189a824af..dc5a1eddff6a 100644 --- a/sci-chemistry/propka/Manifest +++ b/sci-chemistry/propka/Manifest @@ -1,3 +1,3 @@ -DIST propka-3.2.0.tar.gz 73746 BLAKE2B f79e493d5a195b81dc5d11cc21b9ab16c8d1fa48f15f7e23e2b2936dfb8634fdb00c7838b8dbdb4a68726dab0f16e54522ad71d71b3273ac93c03a737ae06f04 SHA512 98f2240b28b33bab94cdbe9392062bb7f6b87e75b94c2af91e178f874a74d210601161ebc835c4d751b89d37b32348fdfb096e28cbf8e9237b3f472d3fb6b4fc -EBUILD propka-3.2.0.ebuild 848 BLAKE2B 3f48d2b0f6b17916f2a9b9baf2d11b0d40beb24498190408320b2e11226aacc81a45a0600506905d03b8f99d33663d461e7eeaaf6f4d2bf5e66f724fde910125 SHA512 5b84c1a85d41570d6704bf87b04f465d50a7e8b4f43fc450c37c4bd558b188d85b56b3073c2bdc750ea8607a2946cb3210ba8bbed8e8bde83db19d0b3109d7a6 -MISC metadata.xml 393 BLAKE2B 1dc3ea512fd9d486051d6a077044cf93f52e831fd99a9fc0c11fc1dcda1360840083d3249ffc1a32cb88425788cd01914084c4cda408912886a2513096929ad8 SHA512 8cb283b09189ce9d8532388a7ed12465befb64a0c095bd6eaab451c54915d89839aa6056cd770950714a4c8e2dc40f6579da0ab06091b7b4bc3bb25119095e7d +DIST propka-3.4.0.gh.tar.gz 363641 BLAKE2B 87f495ba69028593cf3ebf98ed33da0944f7a3833f2d08cae4f0a0b5cbe2f3a67e9812685b896a7d89c88ba25653861f135dbac53dc6df7af426a290bacb3d22 SHA512 2ce431c66374d0692acb7504661caa870ab6460ace3a6478f88c1d46a7bfcd82c748bf153a1ce2ea6d1611bc4bbf2351c4f5149f4578e5f8a9f9ec8385298fe9 +EBUILD propka-3.4.0.ebuild 750 BLAKE2B 811914f17aaa8c9ba8779d4267ecc372c7397394ccf87bb6ea25159759248861da362c13d1e70a991ddd08783c9d4c8c9edb59b99aaac0e253f99935ed2666ee SHA512 e5d23bb7cff54dfc009435da11de8f7e73e2da41e908d4efde1f722a15e2af2d3e5c126fdeb59c5177349a64e6fdeb18cd407a7bd9a6aad3cbeaa3ab6ec04312 +MISC metadata.xml 417 BLAKE2B 89fda735965e8ae53eb86dfd438137e7770718b5601d5cd753cce9a03001419e53404dde70fed53d37ccf407265ee387accb26640bb4fce479e01ff141702b70 SHA512 5a9f942fa28e679ee5e1795fddf91661c35c55df79e0d9b742353ad265057ceb030ef15d3bb218ad5e8217c61d462aa09206e261c14dc363e6d6bfc3d20c6500 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 @@ propka jensengroup/propka + diff --git a/sci-chemistry/propka/propka-3.2.0.ebuild b/sci-chemistry/propka/propka-3.2.0.ebuild deleted file mode 100644 index b5dadd1825d2..000000000000 --- a/sci-chemistry/propka/propka-3.2.0.ebuild +++ /dev/null @@ -1,40 +0,0 @@ -# Copyright 1999-2020 Gentoo Authors -# Distributed under the terms of the GNU General Public License v2 - -EAPI=7 - -PYTHON_COMPAT=( python3_{7,8} ) - -inherit distutils-r1 - -DESCRIPTION="pKa-value prediction of ionizable groups in protein and protein-ligand complexes" -HOMEPAGE="https://github.com/jensengroup/propka" -SRC_URI="mirror://pypi/${PN:0:1}/${PN}/${P}.tar.gz" - -SLOT="0" -LICENSE="LGPL-2.1" -KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux" -IUSE="test" - -RESTRICT="!test? ( test )" - -RDEPEND="dev-python/numpy[${PYTHON_USEDEP}]" -BDEPEND="test? ( - ${RDEPEND} - dev-python/pandas[${PYTHON_USEDEP}] -)" - -python_prepare_all() { - sed -e "/exclude/s:scripts:\', \'Tests:g" \ - -i setup.py || die - distutils-r1_python_prepare_all -} - -python_test() { - cd Tests || die - ${PYTHON} runtest.py || die -} - -python_install_all() { - distutils-r1_python_install_all -} diff --git a/sci-chemistry/propka/propka-3.4.0.ebuild b/sci-chemistry/propka/propka-3.4.0.ebuild new file mode 100644 index 000000000000..81b20fbee2e0 --- /dev/null +++ b/sci-chemistry/propka/propka-3.4.0.ebuild @@ -0,0 +1,28 @@ +# Copyright 1999-2022 Gentoo Authors +# Distributed under the terms of the GNU General Public License v2 + +EAPI=8 + +PYTHON_COMPAT=( python3_{9..11} ) +DISTUTILS_USE_PEP517=setuptools + +inherit distutils-r1 + +DESCRIPTION="pKa-value prediction of ionizable groups in protein and protein-ligand complexes" +HOMEPAGE="https://github.com/jensengroup/propka" +SRC_URI="https://github.com/jensengroup/propka/archive/refs/tags/v${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