diff options
| -rw-r--r-- | sci-chemistry/ghemical/ChangeLog | 8 | ||||
| -rw-r--r-- | sci-chemistry/ghemical/files/digest-ghemical-2.01 | 3 | ||||
| -rw-r--r-- | sci-chemistry/ghemical/ghemical-2.01.ebuild | 50 |
3 files changed, 60 insertions, 1 deletions
diff --git a/sci-chemistry/ghemical/ChangeLog b/sci-chemistry/ghemical/ChangeLog index a6f6f869356f..db19fdecda74 100644 --- a/sci-chemistry/ghemical/ChangeLog +++ b/sci-chemistry/ghemical/ChangeLog @@ -1,6 +1,12 @@ # ChangeLog for sci-chemistry/ghemical # Copyright 2002-2006 Gentoo Foundation; Distributed under the GPL v2 -# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/ghemical/ChangeLog,v 1.15 2006/05/13 22:07:03 spyderous Exp $ +# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/ghemical/ChangeLog,v 1.16 2006/05/13 22:24:31 spyderous Exp $ + +*ghemical-2.01 (13 May 2006) + + 13 May 2006; Donnie Berkholz <spyderous@gentoo.org>; + +ghemical-2.01.ebuild: + (#132835) Bump to latest release. Ebuild based on work of Donald E. Curtis. 13 May 2006; Donnie Berkholz <spyderous@gentoo.org>; ghemical-1.02.ebuild: Update openbabel dep for adding openbabel-2 to the tree. diff --git a/sci-chemistry/ghemical/files/digest-ghemical-2.01 b/sci-chemistry/ghemical/files/digest-ghemical-2.01 new file mode 100644 index 000000000000..794a06f5a964 --- /dev/null +++ b/sci-chemistry/ghemical/files/digest-ghemical-2.01 @@ -0,0 +1,3 @@ +MD5 7a160160c80f213b43485613a5ca2d75 ghemical-2.01.tar.gz 2060867 +RMD160 18332ba3067c463948671d220f7b0a693fe47aa1 ghemical-2.01.tar.gz 2060867 +SHA256 a0d5cc14b53cf132634f053f8779d0e720eb3d92e90ae154d4f41133beb8c4ae ghemical-2.01.tar.gz 2060867 diff --git a/sci-chemistry/ghemical/ghemical-2.01.ebuild b/sci-chemistry/ghemical/ghemical-2.01.ebuild new file mode 100644 index 000000000000..c098b41436e8 --- /dev/null +++ b/sci-chemistry/ghemical/ghemical-2.01.ebuild @@ -0,0 +1,50 @@ +# 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-2.01.ebuild,v 1.1 2006/05/13 22:24:31 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://bioinformatics.org/ghemical/download/${P}.tar.gz" +LICENSE="GPL-2" +SLOT="0" +KEYWORDS="~ppc ~x86" +IUSE="threads openbabel toolbar" +RDEPEND="virtual/glut + virtual/glu + virtual/opengl + >=x11-libs/gtk+-2.6 + >=x11-libs/gtkglext-1.0.5 + >=gnome-base/libglade-2.4 + >=sci-libs/libghemical-2 + openbabel? ( >=sci-chemistry/openbabel-2 ) + threads? ( >=dev-libs/glib-2.4 ) + || ( x11-libs/libXmu virtual/x11 )" +DEPEND="${RDEPEND} + >=dev-util/pkgconfig-0.15" + +pkg_setup() { + # Only works with xorg-x11 GL implementation + GL_IMPLEM=$(eselect opengl show) + eselect opengl set xorg-x11 +} + +src_compile() { + econf \ + $(use_enable toolbar shortcuts) \ + $(use_enable openbabel) \ + $(use_enable threads) \ + --enable-gamess \ + || die "configure failed" + emake || die "make failed" +} + +src_install() { + # sed -e "s:^prefix=.*:prefix=${D}/usr:" -i Makefile + make DESTDIR="${D}" install || die "install failed" +} + +pkg_postinst() { + eselect opengl set ${GL_IMPLEM} +} |