reinit the tree, so we can have metadata

6 files changed, 163 insertions, 0 deletions

diff --git a/sci-chemistry/GromacsWrapper/GromacsWrapper-0.3.1.ebuild b/sci-chemistry/GromacsWrapper/GromacsWrapper-0.3.1.ebuild
new file mode 100644
index 000000000000..4c953dd73e3c
--- /dev/null
+++ b/sci-chemistry/GromacsWrapper/GromacsWrapper-0.3.1.ebuild
@@ -0,0 +1,38 @@
+# Copyright 1999-2017 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=5
+
+PYTHON_COMPAT=( python2_7 )
+
+if [[ $PV = *9999* ]]; then
+	scm_eclass=git-2
+	EGIT_REPO_URI="https://github.com/orbeckst/${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="${DEPEND}"
+
+PATCHES=(
+	"${FILESDIR}/0001-Drop-chmod-hack.patch"
+)
diff --git a/sci-chemistry/GromacsWrapper/GromacsWrapper-0.3.2.ebuild b/sci-chemistry/GromacsWrapper/GromacsWrapper-0.3.2.ebuild
new file mode 100644
index 000000000000..dc2488dd3b95
--- /dev/null
+++ b/sci-chemistry/GromacsWrapper/GromacsWrapper-0.3.2.ebuild
@@ -0,0 +1,38 @@
+# Copyright 1999-2017 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=5
+
+PYTHON_COMPAT=( python2_7 )
+
+if [[ $PV = *9999* ]]; then
+	scm_eclass=git-2
+	EGIT_REPO_URI="https://github.com/orbeckst/${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="${DEPEND}"
+
+PATCHES=(
+	"${FILESDIR}/0001-Drop-chmod-hack.patch"
+)
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..3e946ea31dd4
--- /dev/null
+++ b/sci-chemistry/GromacsWrapper/GromacsWrapper-0.5.1.ebuild
@@ -0,0 +1,34 @@
+# Copyright 1999-2017 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=6
+
+PYTHON_COMPAT=( python2_7 )
+
+if [[ $PV = *9999* ]]; then
+	scm_eclass=git-2
+	EGIT_REPO_URI="https://github.com/orbeckst/${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
new file mode 100644
index 000000000000..6c87a8b274c7
--- /dev/null
+++ b/sci-chemistry/GromacsWrapper/Manifest
@@ -0,0 +1,10 @@
+AUX 0001-Drop-chmod-hack.patch 863 SHA256 1a54e89fd14ab57db0a928dc7ac3e9cd505bb4659e7c6ec849e213aca9e089a2 SHA512 d37a73ca6ecd54c149699177cd10af9782a7ee48c77911a027705728f76a1631f71b37d0263285373877c2e5db8b00dcaafd3e1d6a8dd7d62b1253a905fc5d58 WHIRLPOOL e387b678ed67b3fdba2f1dbe0b9160db3909c331f09faec3824e69147da567acad6719fc3d2dcad616071be83be7f865a7bc524839244a0c4153049d072315d5
+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
+EBUILD GromacsWrapper-0.3.1.ebuild 848 SHA256 4ece5ca4fcbca77b3e0c047189dc638e41f4dfefb4eb34a41649d010d0545eb4 SHA512 0bf92353d341f72ab5dee745cae125329032fb9109524d9a388853b8a6c8ff425da8d7a806f98a9d5a5ce6d29646c5755d39e4ab18815429b58b987eb06e5ce0 WHIRLPOOL 2f7a7b4fee83505e3a37800c1e44433853d81a0979275db9c9210a2b5220e4202c010b8c3b22ff56d7b2f7b08b3e6d434ba1bc55ada649d7e9124e0051a96bee
+EBUILD GromacsWrapper-0.3.2.ebuild 844 SHA256 57abe96d5ce3e017a66a4f6b3024f0df2a8d4e9e9b2ff326ecb7c0d69c7037b5 SHA512 84d8ca613fd783ea77f916ae44390bed18d36a445ef06abfdfc7c9f413eb05a00a6b4c35706d78eef0cae209343e6c7246270dfd2d3d682f028b56ef00fbd057 WHIRLPOOL f6c04b452ff9c8737a5a2f12993fa9044851aad7174f9b6b7b50c3f2765a668ea76e41774886cd81d478a919fdca02755a69ea049d9fb8305c11f09e919aad7b
+EBUILD GromacsWrapper-0.5.1.ebuild 789 SHA256 4420a357f5e134005b8096abe131b253ce5a160d8ae3bafc8c28fda9be5268d1 SHA512 47a145cee1780f80a90a289d29d795141ff1a7d98a443b3fedf44bd173358e1a86b04ec2c72118faa9f715484973c15877e1bc92696ab65f84ecf1dd3f3f98ca WHIRLPOOL b669714f853e6b289afacd4af13a3e548d66299b5e00ef6edddcdfcfbfa252f93481f2f9c5a60ab69bbc7220611da0575d21f310ba8cc7988d5e51f4b9119dd8
+MISC ChangeLog 2991 SHA256 eea78355770b60b36887dd626c3d2a996b6b36ef0b454d26b977c3ae5a60c426 SHA512 a8ae761bc986c1a83d2cf5e888bc22cca7a7c1bddd50a883b1830350affe311f97d628a449559fb3d2add99c5ab7116c090d912a91175868cc5481bcab3a3d1f WHIRLPOOL 8c7595083cd0150b80bfc4cf27b5180fb2cb46d9b806e37d816a65c76c4e0b582ec396c9165a2d109c72b664374c63a445b46ad71d43d154e0b88379f36b81b3
+MISC ChangeLog-2015 888 SHA256 6fe1011aa45e46b92ec378aca1d0cf87c4d2a91a8b74791af91b12a82c5877cf SHA512 36d954e3c5c1fed8193e7fa4e752fa750ec64d080b303babd3aeb505212e1fec783dd47f6a936a1aadfcf3c90eb695eaf21db957ea7dd6d2a4953daf9b5ef83a WHIRLPOOL 415fd208950d1c4c6e039429583bc59e2b5407284d89fe8a92cd45fdfe93d829c4b8562d912e37eff7c58eafcb5c4ba16212d8e218a679e5f2bf5870aa8a76bf
+MISC metadata.xml 478 SHA256 0b8bba3244d50e99b18269f7fb068c9c52d5f5fe1ec54188e7642af4abd2b9e7 SHA512 2214eed914af825f9ab83c1de633c00cf2d3f39ad9f88dde4b21264856e3f7ba960fcacf512d0308f6d351857c76a8ad5aa494988c3c03bfd172a233a7f3207a WHIRLPOOL 97cab39f1d4ea05e638eeac095eb877ab8d99d5c7eaf345c571a90e22a8c23d4588b6eba271bfb5b36a16e4a1954134addb14cbdbf2b04d40fac98513bc13ec9
diff --git a/sci-chemistry/GromacsWrapper/files/0001-Drop-chmod-hack.patch b/sci-chemistry/GromacsWrapper/files/0001-Drop-chmod-hack.patch
new file mode 100644
index 000000000000..8645df77b86e
--- /dev/null
+++ b/sci-chemistry/GromacsWrapper/files/0001-Drop-chmod-hack.patch
@@ -0,0 +1,28 @@
+From 49b8d9662365e0e9b0725682b8a8479de402b272 Mon Sep 17 00:00:00 2001
+From: Alexey Shvetsov <alexxy@gentoo.org>
+Date: Sat, 23 Mar 2013 16:40:04 +0400
+Subject: [PATCH] Drop chmod hack.
+
+It doesnt work if wrapper installed system-wide
+
+Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
+---
+ gromacs/config.py | 2 --
+ 1 file changed, 2 deletions(-)
+
+diff --git a/gromacs/config.py b/gromacs/config.py
+index cece6fc..2e686e7 100644
+--- a/gromacs/config.py
++++ b/gromacs/config.py
+@@ -619,8 +619,6 @@ del g
+ # Must extract because it is part of a zipped python egg;
+ # see http://peak.telecommunity.com/DevCenter/PythonEggs#accessing-package-resources
+ GridMAT_MD = resource_filename(__name__,'external/GridMAT-MD_v1.0.2/GridMAT-MD.pl')
+-os.chmod(GridMAT_MD, 0755)
+-
+ 
+ #: 3rd party bundled analysis scripts and tools; this is a list of triplets of
+ #:
+-- 
+1.8.1.5
+
diff --git a/sci-chemistry/GromacsWrapper/metadata.xml b/sci-chemistry/GromacsWrapper/metadata.xml
new file mode 100644
index 000000000000..16752065b886
--- /dev/null
+++ b/sci-chemistry/GromacsWrapper/metadata.xml
@@ -0,0 +1,15 @@
+<?xml version="1.0" encoding="UTF-8"?>
+<!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd">
+<pkgmetadata>
+  <maintainer type="person">
+    <email>alexxy@gentoo.org</email>
+    <name>Alexey Shvetsov</name>
+  </maintainer>
+  <maintainer type="project">
+    <email>sci-chemistry@gentoo.org</email>
+    <name>Gentoo Chemistry Project</name>
+  </maintainer>
+  <upstream>
+    <remote-id type="github">orbeckst/GromacsWrapper</remote-id>
+  </upstream>
+</pkgmetadata>