Version bump. Now uses external mopac7 and openbabel instead of including its own copies. Added USE flags for mpqc and for GTK+ front-end instead of GLUT front-end.

(Portage version: 2.0.51.22-r1)

3 files changed, 56 insertions, 1 deletions

diff --git a/sci-chemistry/ghemical/ChangeLog b/sci-chemistry/ghemical/ChangeLog
index a8226109f754..5c5f50aa3a96 100644
--- a/sci-chemistry/ghemical/ChangeLog
+++ b/sci-chemistry/ghemical/ChangeLog
@@ -1,6 +1,14 @@
 # ChangeLog for sci-chemistry/ghemical
 # Copyright 2002-2005 Gentoo Foundation; Distributed under the GPL v2
-# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/ghemical/ChangeLog,v 1.5 2005/07/08 05:20:45 spyderous Exp $
+# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/ghemical/ChangeLog,v 1.6 2005/07/09 00:08:06 spyderous Exp $
+
+*ghemical-1.02 (09 Jul 2005)
+
+  09 Jul 2005; Donnie Berkholz <spyderous@gentoo.org>;
+  +ghemical-1.02.ebuild:
+  Version bump. Now uses external mopac7 and openbabel instead of including
+  its own copies. Added USE flags for mpqc and for GTK+ front-end instead of
+  GLUT front-end.
 
 *ghemical-1.01 (04 Jan 2005)
 
diff --git a/sci-chemistry/ghemical/files/digest-ghemical-1.02 b/sci-chemistry/ghemical/files/digest-ghemical-1.02
new file mode 100644
index 000000000000..60d8efe02b8a
--- /dev/null
+++ b/sci-chemistry/ghemical/files/digest-ghemical-1.02
@@ -0,0 +1 @@
+MD5 851b77fe9fc21cb03ef5af321b8c82f4 ghemical-1.02.tgz 1692832
diff --git a/sci-chemistry/ghemical/ghemical-1.02.ebuild b/sci-chemistry/ghemical/ghemical-1.02.ebuild
new file mode 100644
index 000000000000..3a9513f7440f
--- /dev/null
+++ b/sci-chemistry/ghemical/ghemical-1.02.ebuild
@@ -0,0 +1,46 @@
+# Copyright 1999-2005 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/ghemical/ghemical-1.02.ebuild,v 1.1 2005/07/09 00:08:06 spyderous Exp $
+
+inherit eutils
+
+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="mpqc gtk"
+
+DEPEND="dev-libs/libf2c
+	sci-chemistry/mopac7
+	>=sci-chemistry/openbabel-1.100.2
+	sci-chemistry/mpqc
+	>=media-libs/glut-3.7
+	dev-libs/libxml
+	>=dev-util/pkgconfig-0.15
+	=x11-libs/gtkglarea-1.2*
+	=gnome-base/libglade-0*
+	gtk? (
+		gnome-base/gnome-libs
+	)"
+
+src_unpack() {
+	unpack ${A}
+	cd ${S}
+	epatch ${FILESDIR}/gcc3.4-r1.patch
+}
+
+src_compile() {
+	./configure \
+		--prefix=/usr \
+		$(use_enable mpqc) \
+		$(use_enable gtk) ||die
+	emake || die "Configure failed"
+}
+
+src_install() {
+	sed -e "s:^prefix=.*:prefix=${D}/usr:" -i Makefile
+	make install || die "Install failed"
+}