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| author |   Justin Lecher <jlec@gentoo.org> | 2014-05-11 10:44:32 +0000 |
|---|---|---|
| committer | Justin Lecher <jlec@gentoo.org> | 2014-05-11 10:44:32 +0000 |
| commit | d7907960a2b501db55ece471c2d9ece330d0c0ad (patch) | |
| tree | 4552b6f15791e3fbfadbb9c927c31c26024cc06e /sci-chemistry | |
| parent | Import of e18 from the overlay, including version bump to 0.18.7 (diff) | |
| download | gentoo-2-d7907960a2b501db55ece471c2d9ece330d0c0ad.tar.gz gentoo-2-d7907960a2b501db55ece471c2d9ece330d0c0ad.tar.bz2 gentoo-2-d7907960a2b501db55ece471c2d9ece330d0c0ad.zip | |
sci-chemistry/propka: New package written by me
(Portage version: 2.2.10/cvs/Linux x86_64, signed Manifest commit with key B9D4F231BD1558AB!)
Diffstat (limited to 'sci-chemistry')
| -rw-r--r-- | sci-chemistry/propka/ChangeLog | 10 | ||||
| -rw-r--r-- | sci-chemistry/propka/Manifest | 4 | ||||
| -rw-r--r-- | sci-chemistry/propka/metadata.xml | 8 | ||||
| -rw-r--r-- | sci-chemistry/propka/propka-3.1_p140511.ebuild | 29 |
4 files changed, 51 insertions, 0 deletions
diff --git a/sci-chemistry/propka/ChangeLog b/sci-chemistry/propka/ChangeLog new file mode 100644 index 000000000000..3f34a08baa5b --- /dev/null +++ b/sci-chemistry/propka/ChangeLog @@ -0,0 +1,10 @@ +# ChangeLog for sci-chemistry/propka +# Copyright 1999-2014 Gentoo Foundation; Distributed under the GPL v2 +# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/propka/ChangeLog,v 1.1 2014/05/11 10:44:32 jlec Exp $ + +*propka-3.1_p140511 (11 May 2014) + + 11 May 2014; Justin Lecher <jlec@gentoo.org> +propka-3.1_p140511.ebuild, + +metadata.xml: + New package written by me + diff --git a/sci-chemistry/propka/Manifest b/sci-chemistry/propka/Manifest new file mode 100644 index 000000000000..5d662a0bcb91 --- /dev/null +++ b/sci-chemistry/propka/Manifest @@ -0,0 +1,4 @@ +DIST propka-3.1_p140511.tar.xz 151284 SHA256 42b4f6b98bbbefa11fba5e603aa33f1747362746c1170c9958ad408dc34e39af SHA512 c2938af41ed386e267cd045b14e34779889b3c206016d747b68c400f2c8b37bd50cc3b74d055d931476065ac6817a2dd2cb87d68de9911adfff1c8e34a667fc3 WHIRLPOOL 0553ef5f519d41af508885f1900a68627fcf3fb2f901c5d1cef54fe6a5774ef08caf42bf5e80f08cba4c76c9e330be89502e648cf5604aca411c168d4ecda6fa +EBUILD propka-3.1_p140511.ebuild 664 SHA256 5aa5c4d0af6f5c48b6b796c5a6676efdf7b9b29a38b858a62f58eb330bae7e97 SHA512 215502eb256cd9865ba3e48ed614c0a540399c0f924f7e6565b2526fcdf4a5b05e349b6162718432e1b9fc85d2603254ef65b42b74819890e9a32be632120b06 WHIRLPOOL 7501dc160601134e728939a511a59dcd6e26dc2c1d656789d925a1f965f5552ee41bc36d443c39ae6b34a01657a33a9a5b1aac8519194453ec21df8f0b208b3d +MISC ChangeLog 277 SHA256 46bb37e842b83449fc73ce380a01fa4941ed989ec3f2f9fa106ed9c1d315ddec SHA512 27c163694b253bb3eea4b465b4dfb60782af56807d054f24c6a2fb0a343c1e087b4614e5084453f7c197d8806e59cf3b51faaa340f1cc4b3f92453c20276f2aa WHIRLPOOL 8c5836b1f1ede0b6cc2108447ce3c7f1c7cfb027a845c4412bf81b162abc25aa38e076824bb1feba85d74fb036142fea14947cfe103e55a563628968ee4806d3 +MISC metadata.xml 234 SHA256 8297e76ecd2cb828f604e9f138b263179eb84beb640215a0f60d7613eb46bb7f SHA512 0e94c0e6570a9267a39968d81c3b80680ccbc6eebb62199e4830b021a114c94a0de17ef2103cef62b7e27da1f51f225a30abb802aff82140ae6dc43366113d31 WHIRLPOOL fa6d4d90b092953b88ed3ad03e1e8c189296d268b39d13a4b4dcb78f0c4456341e3f1b44eea0860054fee43079179cb7cf7a912acf1fbe693ecdca6d9a65f081 diff --git a/sci-chemistry/propka/metadata.xml b/sci-chemistry/propka/metadata.xml new file mode 100644 index 000000000000..ae9ec7c5f6a4 --- /dev/null +++ b/sci-chemistry/propka/metadata.xml @@ -0,0 +1,8 @@ +<?xml version="1.0" encoding="UTF-8"?> +<!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd"> +<pkgmetadata> + <herd>sci-chemistry</herd> + <maintainer> + <email>jlec@gentoo.org</email> + </maintainer> +</pkgmetadata> diff --git a/sci-chemistry/propka/propka-3.1_p140511.ebuild b/sci-chemistry/propka/propka-3.1_p140511.ebuild new file mode 100644 index 000000000000..2e35e24d0039 --- /dev/null +++ b/sci-chemistry/propka/propka-3.1_p140511.ebuild @@ -0,0 +1,29 @@ +# Copyright 1999-2014 Gentoo Foundation +# Distributed under the terms of the GNU General Public License v2 +# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/propka/propka-3.1_p140511.ebuild,v 1.1 2014/05/11 10:44:32 jlec Exp $ + +EAPI=5 + +PYTHON_COMPAT=( python2_7 ) + +inherit distutils-r1 + +DESCRIPTION="Prediction of the pKa values of ionizable groups in proteins and protein-ligand complexes" +HOMEPAGE="http://propka.ki.ku.dk/" +SRC_URI="http://dev.gentoo.org/~jlec/distfiles/${P}.tar.xz" + +SLOT="0" +LICENSE="all-rights-reserved" +KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux" +IUSE="" + +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 +} |