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Diffstat (limited to 'sci-chemistry/ghemical/ghemical-1.02.ebuild')
| -rw-r--r-- | sci-chemistry/ghemical/ghemical-1.02.ebuild | 46 |
1 files changed, 46 insertions, 0 deletions
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" +} |