Bump. Remove faulty libf2c dep; block on mpqc-2.3, pending upstream bug #237; Change openbabel dep to =1*, pending upstream bug #238; Add needed deps on virtual/blas and virtual/lapack.

Package-Manager: portage-2.0.53

4 files changed, 53 insertions, 2 deletions

diff --git a/sci-libs/libghemical/ChangeLog b/sci-libs/libghemical/ChangeLog
index 3d822ab8c270..7609687a6b30 100644
--- a/sci-libs/libghemical/ChangeLog
+++ b/sci-libs/libghemical/ChangeLog
@@ -1,6 +1,14 @@
 # ChangeLog for sci-libs/libghemical
 # Copyright 1999-2005 Gentoo Foundation; Distributed under the GPL v2
-# $Header: /var/cvsroot/gentoo-x86/sci-libs/libghemical/ChangeLog,v 1.2 2005/12/05 17:13:08 swegener Exp $
+# $Header: /var/cvsroot/gentoo-x86/sci-libs/libghemical/ChangeLog,v 1.3 2005/12/06 11:03:18 spyderous Exp $
+
+*libghemical-1.91 (06 Dec 2005)
+
+  06 Dec 2005; Donnie Berkholz <spyderous@gentoo.org>;
+  +libghemical-1.91.ebuild:
+  Bump. Remove faulty libf2c dep; block on mpqc-2.3, pending upstream bug
+  #237; Change openbabel dep to =1*, pending upstream bug #238; Add needed
+  deps on virtual/blas and virtual/lapack.
 
   02 Dec 2005; Donnie Berkholz <spyderous@gentoo.org>; +metadata.xml,
   +libghemical-1.90.ebuild:
diff --git a/sci-libs/libghemical/Manifest b/sci-libs/libghemical/Manifest
index 60d86a73dca4..5c4d095d9727 100644
--- a/sci-libs/libghemical/Manifest
+++ b/sci-libs/libghemical/Manifest
@@ -1,4 +1,6 @@
-MD5 3fbe111356b4a2b058fd36bb2a0c201f ChangeLog 602
+MD5 d82c65a79763b8fb8cd9c1663ab4a711 ChangeLog 912
 MD5 9e76c51c466b9b689c090d08b7d371dc files/digest-libghemical-1.90 65
+MD5 24cb392d27e0cac4b58dffc8840593b2 files/digest-libghemical-1.91 66
 MD5 652889b99255925151316a78fa1325d9 libghemical-1.90.ebuild 1243
+MD5 bd82cf6364118c937221b163e3f64ef8 libghemical-1.91.ebuild 1319
 MD5 8c623e53daafa025137077c6b65815bd metadata.xml 156
diff --git a/sci-libs/libghemical/files/digest-libghemical-1.91 b/sci-libs/libghemical/files/digest-libghemical-1.91
new file mode 100644
index 000000000000..39035a6f7064
--- /dev/null
+++ b/sci-libs/libghemical/files/digest-libghemical-1.91
@@ -0,0 +1 @@
+MD5 6832615a8411c46c6f1b011a7354106e libghemical-1.91.tgz 1087881
diff --git a/sci-libs/libghemical/libghemical-1.91.ebuild b/sci-libs/libghemical/libghemical-1.91.ebuild
new file mode 100644
index 000000000000..850042bb5475
--- /dev/null
+++ b/sci-libs/libghemical/libghemical-1.91.ebuild
@@ -0,0 +1,40 @@
+# Copyright 1999-2005 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Header: /var/cvsroot/gentoo-x86/sci-libs/libghemical/libghemical-1.91.ebuild,v 1.1 2005/12/06 11:03:18 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/${P}.tgz"
+
+LICENSE="GPL-2"
+SLOT="0"
+KEYWORDS="~ppc ~x86"
+IUSE="mopac7 mpqc openbabel"
+
+RDEPEND="virtual/glut
+	mopac7? ( sci-chemistry/mopac7 )
+	openbabel? ( =sci-chemistry/openbabel-1.100.2 )
+	mpqc? ( sci-chemistry/mpqc )
+	!=sci-chemistry/mpqc-2.3.0
+	virtual/blas
+	virtual/lapack"
+
+DEPEND="${RDEPEND}
+	>=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"
+}