Initial commit of development version.

Package-Manager: portage-2.0.51.22-r1

6 files changed, 60 insertions, 1 deletions

diff --git a/sci-chemistry/ghemical/Manifest b/sci-chemistry/ghemical/Manifest
index 965e3942638c..90a29699c2ef 100644
--- a/sci-chemistry/ghemical/Manifest
+++ b/sci-chemistry/ghemical/Manifest
@@ -1,10 +1,14 @@
-MD5 e71105e1acd6edfa69c2aa0d4ed6094f ChangeLog 2095
+MD5 3eacbfbce4218d3c72a472fb69b89930 ChangeLog 2308
 MD5 7eee9f49213553ee1ee395ec0d8c2384 ghemical-1.00.ebuild 1169
 MD5 8c623e53daafa025137077c6b65815bd metadata.xml 156
 MD5 bbff2d1aa187874c26b9d4451e8a78c4 ghemical-1.01.ebuild 1173
 MD5 905dd6c52373bb930a59da85f0ce98a1 ghemical-1.02.ebuild 1343
+MD5 9d9e56f1b17f12d1bbdace7b89b1bde4 ghemical-1.90.ebuild 1341
 MD5 fefd85f432335b478759ce408d355480 files/digest-ghemical-1.00 63
 MD5 ed929c4b181d11c1d2ab2e2fdfc65614 files/digest-ghemical-1.01 63
 MD5 d33b8f1ad096b3c68d0edcec13f0caaf files/gcc3.4-r1.patch 350
 MD5 bdb8f7d12899a6cae19b4d7ff183c752 files/gcc3.4.patch 1112
 MD5 ecf94e717ecddb04194c606ff2a1c7c5 files/digest-ghemical-1.02 63
+MD5 dfee64c8a4cb7dc562e202b9b892f1ec files/1.90-gcc3.4-r1.patch 314
+MD5 8a3e5b80ca59fca4b3bf452c38a6c1c9 files/digest-ghemical-1.90 63
+MD5 1abfc18218d6f41913205984e107bdd2 files/ghemical-1.90-ghemical-server-fix.patch 624
diff --git a/sci-chemistry/libghemical/ChangeLog b/sci-chemistry/libghemical/ChangeLog
new file mode 100644
index 000000000000..ee34a31e74b2
--- /dev/null
+++ b/sci-chemistry/libghemical/ChangeLog
@@ -0,0 +1,10 @@
+# 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
new file mode 100644
index 000000000000..d71708e2d14c
--- /dev/null
+++ b/sci-chemistry/libghemical/Manifest
@@ -0,0 +1,4 @@
+MD5 585555fb83d2ecdd89e0487c929cbdcd libghemical-1.90.ebuild 1243
+MD5 8c623e53daafa025137077c6b65815bd metadata.xml 156
+MD5 072acdc38ba9162ac26433030c60a238 ChangeLog 399
+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
new file mode 100644
index 000000000000..05064c7bfa5a
--- /dev/null
+++ 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
new file mode 100644
index 000000000000..db32706202b8
--- /dev/null
+++ b/sci-chemistry/libghemical/libghemical-1.90.ebuild
@@ -0,0 +1,35 @@
+# 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
new file mode 100644
index 000000000000..b229aec85b8f
--- /dev/null
+++ b/sci-chemistry/libghemical/metadata.xml
@@ -0,0 +1,5 @@
+<?xml version="1.0" encoding="UTF-8"?>
+<!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd">
+<pkgmetadata>
+<herd>sci</herd>
+</pkgmetadata>