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-rw-r--r--sci-chemistry/GromacsWrapper/GromacsWrapper-0.5.1.ebuild37
-rw-r--r--sci-chemistry/GromacsWrapper/Manifest1
2 files changed, 38 insertions, 0 deletions
diff --git a/sci-chemistry/GromacsWrapper/GromacsWrapper-0.5.1.ebuild b/sci-chemistry/GromacsWrapper/GromacsWrapper-0.5.1.ebuild
new file mode 100644
index 000000000000..ac4ab3d5dd3f
--- /dev/null
+++ b/sci-chemistry/GromacsWrapper/GromacsWrapper-0.5.1.ebuild
@@ -0,0 +1,37 @@
+# Copyright 1999-2016 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Id$
+
+EAPI=6
+
+PYTHON_COMPAT=( python2_7 )
+
+if [[ $PV = *9999* ]]; then
+ scm_eclass=git-2
+ EGIT_REPO_URI="
+ git://github.com/orbeckst/${PN}.git
+ https://github.com/orbeckst/${PN}.git"
+ EGIT_BRANCH="develop"
+ SRC_URI=""
+ KEYWORDS=""
+else
+ scm_eclass=vcs-snapshot
+ SRC_URI="https://github.com/orbeckst/${PN}/archive/release-${PV}.tar.gz -> ${P}.tar.gz"
+ KEYWORDS="~amd64 ~x86"
+fi
+
+inherit eutils distutils-r1 ${scm_eclass}
+
+DESCRIPTION="Python framework for Gromacs"
+HOMEPAGE="https://orbeckst.github.com/GromacsWrapper/"
+
+LICENSE="GPL-3 LGPL-3"
+SLOT="0"
+IUSE=""
+
+DEPEND="
+ >=dev-python/matplotlib-0.91.3[${PYTHON_USEDEP}]
+ >=dev-python/RecSQL-0.3[${PYTHON_USEDEP}]
+ >=sci-libs/scipy-0.9[${PYTHON_USEDEP}]
+ "
+RDEPEND="${DEPEND}"
diff --git a/sci-chemistry/GromacsWrapper/Manifest b/sci-chemistry/GromacsWrapper/Manifest
index 4c77ff3c1ead..8c3a85f113c6 100644
--- a/sci-chemistry/GromacsWrapper/Manifest
+++ b/sci-chemistry/GromacsWrapper/Manifest
@@ -1,2 +1,3 @@
DIST GromacsWrapper-0.3.1.tar.gz 1575486 SHA256 ddd2668060668528878370961a9a33257cf3643fd0d9e9191b1d26d4f78e803b SHA512 655dae431bf575963af58a5f75abe6703fe1ecdddba5839b671d9237ddee0e33ab19b528e89bcba4db9063fe30622d44e8f47c7b6452b4d1eed8c7400873a012 WHIRLPOOL 3b848aff931190eabd49426d61186a3c1eef9779a9fabf95b4d21d47793e5543adbcba5ac2b39c8a9af7c2479930a8ea65bb336e2155dfca98378df56ba4cb3e
DIST GromacsWrapper-0.3.2.tar.gz 1592147 SHA256 2fe0173275ca125a4260aa05f82746338f237766fe8aa998e85a5b40cf83e42c SHA512 a9e0abb5e7ad0c6831e23b6a8c09c6e4cc74b33d66cd17df8e00b876dc275dda11c3d3723565d8d58c45bdf6b2b00323bf85e24e2d5324a8d8b597cc3e5d78a4 WHIRLPOOL 852d73d01e1060369521ec5ff5197c86daa30ae98f285fe5e3d392a315cff10c68e2ba54ec9a2659260cf6830cf17cb1e094eecbd63652e9c3f13fff8707a824
+DIST GromacsWrapper-0.5.1.tar.gz 1247839 SHA256 cca0713a50bdceaae554b4a41f2c0b6d1c66074e9eaca17ecd87ce074cc56f7d SHA512 43b6b47e24cbb118492495370b165eb4b0e7672ba4e1c868d3039a0ad0b9828058f30ab7344118c7b0e7dd166ac325ea2b3483bd28b8f65dd972a101a5b9facd WHIRLPOOL f705d86725d95a226e74e589cf9ccc98a9e366c3aaea4818788e6ea1a359d048000718607274aa783c779c91c88bd882e65e1840a6b3c156fa374655de47b40a