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authorHannes Mehnert <hannes@gentoo.org>2002-10-29 02:20:13 +0000
committerHannes Mehnert <hannes@gentoo.org>2002-10-29 02:20:13 +0000
commit2aee0d51ae0a838af0d3287222c7a714cac6e1e7 (patch)
treea9ee52f02ae1737d4788d7c51871682f0ad65d8f /app-sci/ghemical/ghemical-0.90.ebuild
parentadded libf2c license (diff)
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initial ebuild
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+# Copyright 1999-2002 Gentoo Technologies, Inc.
+# Distributed under the terms of the GNU General Public License, v2 or later
+# $Header: /var/cvsroot/gentoo-x86/app-sci/ghemical/ghemical-0.90.ebuild,v 1.1 2002/10/29 02:20:13 hannes Exp $
+
+DEPEND="gnome-base/gnome-libs
+ dev-libs/libf2c"
+# app-sci/mpqc"
+
+IUSE=""
+SLOT="0"
+LICENSE="GPL"
+KEYWORDS="~x86"
+
+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"
+
+src_compile() {
+ patch -p0 < ${FILESDIR}/${P}-gentoo.patch
+ ./configure --prefix=/usr #--enable-mpqc
+ emake
+}
+
+src_install() {
+ sed -e "s:^prefix=.*:prefix=${D}/usr:" Makefile > Makefile.foo
+ mv Makefile.foo Makefile
+ make install
+}