Initial commit of development version.

(Portage version: 2.0.51.22-r1)

5 files changed, 56 insertions, 0 deletions

diff --git a/sci-chemistry/libghemical/ChangeLog b/sci-chemistry/libghemical/ChangeLog
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+++ b/sci-chemistry/libghemical/ChangeLog
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+# ChangeLog for sci-chemistry/libghemical
+# Copyright 1999-2005 Gentoo Foundation; Distributed under the GPL v2
+# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/libghemical/ChangeLog,v 1.1 2005/07/09 05:04:40 spyderous Exp $
+
+*libghemical-1.90 (09 Jul 2005)
+
+  09 Jul 2005; Donnie Berkholz <spyderous@gentoo.org>; +metadata.xml,
+  +libghemical-1.90.ebuild:
+  Initial commit of development version.
+
diff --git a/sci-chemistry/libghemical/Manifest b/sci-chemistry/libghemical/Manifest
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+++ b/sci-chemistry/libghemical/Manifest
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+MD5 ac254a6ae1fbe216c6174093779f628f libghemical-1.90.ebuild 1236
+MD5 cf36de622ffa3ab37f5bf287d16eadb2 files/digest-ghemical-1.50_alpha 68
+MD5 ecf94e717ecddb04194c606ff2a1c7c5 files/digest-ghemical-1.02 63
+MD5 d33b8f1ad096b3c68d0edcec13f0caaf files/gcc3.4-r1.patch 350
+MD5 9e76c51c466b9b689c090d08b7d371dc files/digest-libghemical-1.90 65
diff --git a/sci-chemistry/libghemical/files/digest-libghemical-1.90 b/sci-chemistry/libghemical/files/digest-libghemical-1.90
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index 000000000000..05064c7bfa5a
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+++ b/sci-chemistry/libghemical/files/digest-libghemical-1.90
@@ -0,0 +1 @@
+MD5 074e485c4786342ba045b616eee0c2da libghemical-1.90.tgz 636435
diff --git a/sci-chemistry/libghemical/libghemical-1.90.ebuild b/sci-chemistry/libghemical/libghemical-1.90.ebuild
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index 000000000000..db32706202b8
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+++ b/sci-chemistry/libghemical/libghemical-1.90.ebuild
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+# Copyright 1999-2005 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/libghemical/libghemical-1.90.ebuild,v 1.1 2005/07/09 05:04:40 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="mopac7 mpqc openbabel"
+
+DEPEND="dev-libs/libf2c
+	mopac7? ( sci-chemistry/mopac7 )
+	openbabel? ( >=sci-chemistry/openbabel-1.100.2 )
+	mpqc? ( sci-chemistry/mpqc )
+	>=dev-util/pkgconfig-0.15"
+
+src_compile() {
+	libtoolize --copy --force
+
+	./configure \
+		--prefix=/usr \
+		$(use_enable mopac7) \
+		$(use_enable mpqc) \
+		$(use_enable openbabel) || die "Configure failed"
+	emake || die "Make failed"
+}
+
+src_install() {
+	make DESTDIR="${D}" install || die "Install failed"
+}
diff --git a/sci-chemistry/libghemical/metadata.xml b/sci-chemistry/libghemical/metadata.xml
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+<?xml version="1.0" encoding="UTF-8"?>
+<!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd">
+<pkgmetadata>
+<herd>sci</herd>
+</pkgmetadata>