sci-chemistry/ghemical/ghemical-1.01.ebuild


1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38

# Copyright 1999-2006 Gentoo Foundation
# Distributed under the terms of the GNU General Public License v2
# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/ghemical/ghemical-1.01.ebuild,v 1.2 2006/05/14 05:56:58 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://bioinformatics.org/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
	sci-chemistry/mpqc
	=x11-libs/gtkglarea-1.2*
	>=media-libs/glut-3.7
	dev-libs/libxml
	=gnome-base/libglade-0*"

src_unpack() {
	unpack ${A}
	cd ${S}
	epatch ${FILESDIR}/gcc3.4-r1.patch
}

src_compile() {
	./configure --prefix=/usr --enable-mpqc ||die
	emake ||die
}

src_install() {
	sed -e "s:^prefix=.*:prefix=${D}/usr:" -i Makefile
	make install||die
}