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authorRobin H. Johnson <robbat2@gentoo.org>2015-08-08 13:49:04 -0700
committerRobin H. Johnson <robbat2@gentoo.org>2015-08-08 17:38:18 -0700
commit56bd759df1d0c750a065b8c845e93d5dfa6b549d (patch)
tree3f91093cdb475e565ae857f1c5a7fd339e2d781e /sci-chemistry/propka
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proj/gentoo: Initial commit
This commit represents a new era for Gentoo: Storing the gentoo-x86 tree in Git, as converted from CVS. This commit is the start of the NEW history. Any historical data is intended to be grafted onto this point. Creation process: 1. Take final CVS checkout snapshot 2. Remove ALL ChangeLog* files 3. Transform all Manifests to thin 4. Remove empty Manifests 5. Convert all stale $Header$/$Id$ CVS keywords to non-expanded Git $Id$ 5.1. Do not touch files with -kb/-ko keyword flags. Signed-off-by: Robin H. Johnson <robbat2@gentoo.org> X-Thanks: Alec Warner <antarus@gentoo.org> - did the GSoC 2006 migration tests X-Thanks: Robin H. Johnson <robbat2@gentoo.org> - infra guy, herding this project X-Thanks: Nguyen Thai Ngoc Duy <pclouds@gentoo.org> - Former Gentoo developer, wrote Git features for the migration X-Thanks: Brian Harring <ferringb@gentoo.org> - wrote much python to improve cvs2svn X-Thanks: Rich Freeman <rich0@gentoo.org> - validation scripts X-Thanks: Patrick Lauer <patrick@gentoo.org> - Gentoo dev, running new 2014 work in migration X-Thanks: Michał Górny <mgorny@gentoo.org> - scripts, QA, nagging X-Thanks: All of other Gentoo developers - many ideas and lots of paint on the bikeshed
Diffstat (limited to 'sci-chemistry/propka')
-rw-r--r--sci-chemistry/propka/Manifest1
-rw-r--r--sci-chemistry/propka/metadata.xml8
-rw-r--r--sci-chemistry/propka/propka-3.1_p140511.ebuild38
3 files changed, 47 insertions, 0 deletions
diff --git a/sci-chemistry/propka/Manifest b/sci-chemistry/propka/Manifest
new file mode 100644
index 000000000000..5f7630e69501
--- /dev/null
+++ b/sci-chemistry/propka/Manifest
@@ -0,0 +1 @@
+DIST propka-3.1_p140511.tar.xz 151284 SHA256 42b4f6b98bbbefa11fba5e603aa33f1747362746c1170c9958ad408dc34e39af SHA512 c2938af41ed386e267cd045b14e34779889b3c206016d747b68c400f2c8b37bd50cc3b74d055d931476065ac6817a2dd2cb87d68de9911adfff1c8e34a667fc3 WHIRLPOOL 0553ef5f519d41af508885f1900a68627fcf3fb2f901c5d1cef54fe6a5774ef08caf42bf5e80f08cba4c76c9e330be89502e648cf5604aca411c168d4ecda6fa
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..d390752866d6
--- /dev/null
+++ b/sci-chemistry/propka/propka-3.1_p140511.ebuild
@@ -0,0 +1,38 @@
+# Copyright 1999-2015 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Id$
+
+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/${P}.tar.xz"
+
+SLOT="0"
+LICENSE="all-rights-reserved"
+KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux"
+IUSE=""
+
+DEPEND="dev-python/setuptools[${PYTHON_USEDEP}]"
+
+RESTRICT="mirror bindist"
+
+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() {
+ dosym ${PN}31 /usr/bin/${PN}
+ distutils-r1_python_install_all
+}