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authorHannes Mehnert <hannes@gentoo.org>2002-12-05 21:41:06 +0000
committerHannes Mehnert <hannes@gentoo.org>2002-12-05 21:41:06 +0000
commit10635d70f228c6abccb473cd8ee325506f6ae73a (patch)
tree5df137615c7bf7968764823ca373052badbdbfd6 /app-sci
parentkeyworded ~ppc (diff)
downloadhistorical-10635d70f228c6abccb473cd8ee325506f6ae73a.tar.gz
historical-10635d70f228c6abccb473cd8ee325506f6ae73a.tar.bz2
historical-10635d70f228c6abccb473cd8ee325506f6ae73a.zip
version bump
Diffstat (limited to 'app-sci')
-rw-r--r--app-sci/ghemical/ChangeLog5
-rw-r--r--app-sci/ghemical/files/digest-ghemical-1.001
-rw-r--r--app-sci/ghemical/ghemical-1.00.ebuild28
3 files changed, 33 insertions, 1 deletions
diff --git a/app-sci/ghemical/ChangeLog b/app-sci/ghemical/ChangeLog
index a21c557fd67a..8a61eca43945 100644
--- a/app-sci/ghemical/ChangeLog
+++ b/app-sci/ghemical/ChangeLog
@@ -1,6 +1,9 @@
# ChangeLog for app-sci/ghemical
# Copyright 2002 Gentoo Technologies, Inc.; Distributed under the GPL v2
-# $Header: /var/cvsroot/gentoo-x86/app-sci/ghemical/ChangeLog,v 1.3 2002/11/02 10:31:44 hannes Exp $
+# $Header: /var/cvsroot/gentoo-x86/app-sci/ghemical/ChangeLog,v 1.4 2002/12/05 21:41:06 hannes Exp $
+
+ 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
diff --git a/app-sci/ghemical/files/digest-ghemical-1.00 b/app-sci/ghemical/files/digest-ghemical-1.00
new file mode 100644
index 000000000000..aaafc52d842f
--- /dev/null
+++ b/app-sci/ghemical/files/digest-ghemical-1.00
@@ -0,0 +1 @@
+MD5 bbc177c1433f5fec9ee8c10468561564 ghemical-1.00.tgz 2775844
diff --git a/app-sci/ghemical/ghemical-1.00.ebuild b/app-sci/ghemical/ghemical-1.00.ebuild
new file mode 100644
index 000000000000..d161b7f94755
--- /dev/null
+++ b/app-sci/ghemical/ghemical-1.00.ebuild
@@ -0,0 +1,28 @@
+# 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-1.00.ebuild,v 1.1 2002/12/05 21:41:06 hannes Exp $
+
+DEPEND="gnome-base/gnome-libs
+ dev-libs/libf2c
+ app-sci/mpqc"
+
+IUSE=""
+SLOT="0"
+LICENSE="GPL-2"
+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/${P}.tgz"
+
+src_compile() {
+ ./configure --prefix=/usr --enable-mpqc
+ emake
+}
+
+src_install() {
+ sed -e "s:^prefix=.*:prefix=${D}/usr:" Makefile > Makefile.foo
+ mv Makefile.foo Makefile
+ make install
+}