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authorOlivier Fisette <ribosome@gentoo.org>2004-12-24 16:36:01 +0000
committerOlivier Fisette <ribosome@gentoo.org>2004-12-24 16:36:01 +0000
commit5d90d19db928e2a983f81093611aabf792bf4df9 (patch)
tree35c20e192eec6c367f3c3d87cd69dcec5b3742a0 /sci-chemistry
parentMoving to sci-chemistry/ghemical (diff)
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Moved from app-sci/ghemical to sci-chemistry/ghemical.
Diffstat (limited to 'sci-chemistry')
-rw-r--r--sci-chemistry/ghemical/ChangeLog41
-rw-r--r--sci-chemistry/ghemical/Manifest4
-rw-r--r--sci-chemistry/ghemical/files/digest-ghemical-1.001
-rw-r--r--sci-chemistry/ghemical/ghemical-1.00.ebuild30
-rw-r--r--sci-chemistry/ghemical/metadata.xml5
5 files changed, 81 insertions, 0 deletions
diff --git a/sci-chemistry/ghemical/ChangeLog b/sci-chemistry/ghemical/ChangeLog
new file mode 100644
index 000000000000..4b38da1f412c
--- /dev/null
+++ b/sci-chemistry/ghemical/ChangeLog
@@ -0,0 +1,41 @@
+# ChangeLog for app-sci/ghemical
+# Copyright 2002-2004 Gentoo Foundation; Distributed under the GPL v2
+# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/ghemical/ChangeLog,v 1.1 2004/12/24 16:36:01 ribosome Exp $
+
+*ghemical-1.00 (24 Dec 2004)
+
+ 24 Dec 2004; Olivier Fisette <ribosome@gentoo.org> +metadata.xml,
+ +ghemical-1.00.ebuild:
+ Moved from app-sci/ghemical to sci-chemistry/ghemical.
+
+ 19 Apr 2004; Patrick Kursawe <phosphan@gentoo.org> ghemical-0.90.ebuild,
+ ghemical-1.00.ebuild, files/ghemical-0.90-gentoo.patch:
+ Added IUSE, moved to sed -i
+
+*ghemical-1.00 (13 Feb 2003)
+
+ 13 Jan 2003; foser <foser@gentoo.org> ghemical-1.00.ebuild :
+ Corrected deps, removed gtkglext dep.
+
+ 12 Jan 2003; Matthew Turk <satai@gentoo.org> :
+ Fix stupid typos.
+
+ 03 Jan 2003; Matthew Turk <satai@gentoo.org> :
+ Clean up some more depends.
+
+ 30 Dec 2002; Matthew Turk <satai@gentoo.org> :
+ Fixed #10784 by adding gtkglext as DEPEND.
+
+ 05 Dec 2002; Hannes Mehnert <hannes@gentoo.org> ghemical-1.00.ebuild:
+ version bump
+
+ 02 Nov 2002; Hannes Mehnert <hannes@gentoo.org> ghemical-0.90.ebuild:
+ marked stable for x86
+
+ 31 Oct 2002; Hannes Mehnert <hannes@gentoo.org> ghemical-0.90.ebuild:
+ added --enable-mpqc (since mpqc is now in portage)
+
+*ghemical-0.90.ebuild (28 Oct 2002)
+
+ 28 Oct 2002; Hannes Mehnert <hannes@gentoo.org> ghemical-0.90.ebuild,
+ ChangeLog: Initial ebuild.
diff --git a/sci-chemistry/ghemical/Manifest b/sci-chemistry/ghemical/Manifest
new file mode 100644
index 000000000000..cd5df9f56a56
--- /dev/null
+++ b/sci-chemistry/ghemical/Manifest
@@ -0,0 +1,4 @@
+MD5 c326a054471fed21f2d89acce22d1215 ghemical-1.00.ebuild 1069
+MD5 6cec29189231d93906102e17bceae53a ChangeLog 1200
+MD5 8c623e53daafa025137077c6b65815bd metadata.xml 156
+MD5 fefd85f432335b478759ce408d355480 files/digest-ghemical-1.00 63
diff --git a/sci-chemistry/ghemical/files/digest-ghemical-1.00 b/sci-chemistry/ghemical/files/digest-ghemical-1.00
new file mode 100644
index 000000000000..aaafc52d842f
--- /dev/null
+++ b/sci-chemistry/ghemical/files/digest-ghemical-1.00
@@ -0,0 +1 @@
+MD5 bbc177c1433f5fec9ee8c10468561564 ghemical-1.00.tgz 2775844
diff --git a/sci-chemistry/ghemical/ghemical-1.00.ebuild b/sci-chemistry/ghemical/ghemical-1.00.ebuild
new file mode 100644
index 000000000000..3a71c12dd905
--- /dev/null
+++ b/sci-chemistry/ghemical/ghemical-1.00.ebuild
@@ -0,0 +1,30 @@
+# Copyright 1999-2004 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/ghemical/ghemical-1.00.ebuild,v 1.1 2004/12/24 16:36:01 ribosome Exp $
+
+DESCRIPTION="Ghemical supports both quantum-mechanics (semi-empirical and ab initio) models and molecular mechanics models (there is an experimental Tripos 5.2-like force field for organic molecules). Also a tool for reduced protein models is included. Geometry optimization, molecular dynamics and a large set of visualization tools are currently available."
+HOMEPAGE="http://www.uku.fi/~thassine/ghemical/"
+SRC_URI="http://www.uku.fi/~thassine/ghemical/download/${P}.tgz"
+
+LICENSE="GPL-2"
+SLOT="0"
+KEYWORDS="x86"
+IUSE=""
+
+DEPEND="gnome-base/gnome-libs
+ dev-libs/libf2c
+ app-sci/mpqc
+ =x11-libs/gtkglarea-1.2*
+ >=media-libs/glut-3.7
+ dev-libs/libxml
+ =gnome-base/libglade-0*"
+
+src_compile() {
+ ./configure --prefix=/usr --enable-mpqc ||die
+ emake ||die
+}
+
+src_install() {
+ sed -e "s:^prefix=.*:prefix=${D}/usr:" -i Makefile
+ make install||die
+}
diff --git a/sci-chemistry/ghemical/metadata.xml b/sci-chemistry/ghemical/metadata.xml
new file mode 100644
index 000000000000..b229aec85b8f
--- /dev/null
+++ b/sci-chemistry/ghemical/metadata.xml
@@ -0,0 +1,5 @@
+<?xml version="1.0" encoding="UTF-8"?>
+<!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd">
+<pkgmetadata>
+<herd>sci</herd>
+</pkgmetadata>