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-rw-r--r--sci-chemistry/ghemical/ChangeLog7
-rw-r--r--sci-chemistry/ghemical/Manifest14
-rw-r--r--sci-chemistry/ghemical/ghemical-2.98.ebuild60
3 files changed, 69 insertions, 12 deletions
diff --git a/sci-chemistry/ghemical/ChangeLog b/sci-chemistry/ghemical/ChangeLog
index 0cbfc5ba90d2..83e29f81ad2f 100644
--- a/sci-chemistry/ghemical/ChangeLog
+++ b/sci-chemistry/ghemical/ChangeLog
@@ -1,6 +1,11 @@
# ChangeLog for sci-chemistry/ghemical
# Copyright 2002-2008 Gentoo Foundation; Distributed under the GPL v2
-# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/ghemical/ChangeLog,v 1.26 2008/08/06 15:35:02 ulm Exp $
+# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/ghemical/ChangeLog,v 1.27 2008/11/27 19:53:24 patrick Exp $
+
+*ghemical-2.98 (27 Nov 2008)
+
+ 27 Nov 2008; Patrick Lauer <patrick@gentoo.org> +ghemical-2.98.ebuild:
+ Bump to 2.98
06 Aug 2008; Ulrich Mueller <ulm@gentoo.org> metadata.xml:
Add USE flag description to metadata wrt GLEP 56.
diff --git a/sci-chemistry/ghemical/Manifest b/sci-chemistry/ghemical/Manifest
index b73e68ccc039..836c16602b61 100644
--- a/sci-chemistry/ghemical/Manifest
+++ b/sci-chemistry/ghemical/Manifest
@@ -1,18 +1,10 @@
------BEGIN PGP SIGNED MESSAGE-----
-Hash: SHA1
-
DIST ghemical-2.01.tar.gz 2060867 RMD160 18332ba3067c463948671d220f7b0a693fe47aa1 SHA1 b5503e178fce2bf449e19b59a62c9bc12003fa85 SHA256 a0d5cc14b53cf132634f053f8779d0e720eb3d92e90ae154d4f41133beb8c4ae
DIST ghemical-2.10.tar.gz 2153033 RMD160 1707c0fbb0a7b83b3d2be868b9c3a893b153ea9d SHA1 357f57c786816b4b99f59a79a0786954324a1627 SHA256 9ab934eabafef5ec6375ded7b334f4c54f74dbdcf72330303a3888907922215e
DIST ghemical-2.95.tar.gz 2062097 RMD160 866cb26b7980d9cdfc1f73ddc03240df583ded20 SHA1 ac9419292554103f2b9bc7be8dfc921906134351 SHA256 1083bd02aba1a73fe7008a2f23d1b974147ac95f34f7ef2f90d8d2f9a823e8cc
+DIST ghemical-2.98.tar.gz 2065429 RMD160 836e1ec7a45615b58aa4a369d2fc21f5d599fbf4 SHA1 d4212aefe12b4d1f98ce6859e0f0d0a658c64a5d SHA256 2163b321df97698487017d32df77fdf4a9afb385b60f93145fd161a277c7ae82
EBUILD ghemical-2.01.ebuild 1294 RMD160 c7c6ef108158fd5042c81c5bc99b417cf5160c4f SHA1 0d33daedf8a508412964622cdd0c9d3c6ee7a1ae SHA256 8b386920a7c27b217ff91c8b21ed2d0292d281b18874ee348e697208dbe7aada
EBUILD ghemical-2.10.ebuild 1795 RMD160 cd539f7fb8ab74f442ae0153afd0da26629b21c0 SHA1 fbf5f75ad4b5bdd15767a88817568cc401dec6a5 SHA256 f47a37e648adfa5b70066cf48e463b589bfd0b5ec4567cfb793a9317d251a9ca
EBUILD ghemical-2.95.ebuild 1554 RMD160 5136628d5b9abb78a51934002481fd81520badd4 SHA1 e573c8187102fe215b06e2788fc04227e3bcca38 SHA256 6022ab919cdd9751ef264c31ea4187ad20b0af14dc4cf93c658cb5b8a839422f
-MISC ChangeLog 4798 RMD160 382224616f27c9b6422bbe50427b38fe2829236e SHA1 1751555bc18a709b87859e4983450f09cd565d93 SHA256 77dde07c27a2f517b7280a3b570fe5d8e8eab919901b4bc5ff6ea685e5e9fa71
+EBUILD ghemical-2.98.ebuild 1552 RMD160 74e57a59274b8612ce2ecd84b822a0987ca0683e SHA1 a1424472972e61cb730b5336faa6884f3bd18b37 SHA256 f61db871b8b54b307c3495cf1ca37d5873afe33aa2c59a6572ba251a6860200e
+MISC ChangeLog 4921 RMD160 0dbec241a115c892bc8831c4afbd7cd158375f5d SHA1 c704a39388cb757ad9f092747c03756f5f35d263 SHA256 d4f12b566c1abafc69b0d17d63cf182b2bc85b27a60dfc3544b8b47feb2170a0
MISC metadata.xml 917 RMD160 5ada96e4b3d836e6525a5613076ea6da69e5daec SHA1 bcaf353e9ba29dfa292785049d643f798e46f24a SHA256 3400c4d52b6b7864856cca423c808bbec063fe565bf570411283d66af3771a70
------BEGIN PGP SIGNATURE-----
-Version: GnuPG v1.4.9 (GNU/Linux)
-
-iEYEARECAAYFAkiZxLcACgkQOeoy/oIi7uxwtgCeL311+Fuof1nbCZEaxBOB+JWf
-aR8AoKWy14bM13/laEuy7aGWE6sJB6Gn
-=jkx6
------END PGP SIGNATURE-----
diff --git a/sci-chemistry/ghemical/ghemical-2.98.ebuild b/sci-chemistry/ghemical/ghemical-2.98.ebuild
new file mode 100644
index 000000000000..24ef3db6818a
--- /dev/null
+++ b/sci-chemistry/ghemical/ghemical-2.98.ebuild
@@ -0,0 +1,60 @@
+# Copyright 1999-2008 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/ghemical/ghemical-2.98.ebuild,v 1.1 2008/11/27 19:53:24 patrick Exp $
+
+inherit eutils flag-o-matic
+
+DESCRIPTION="Chemical quantum mechanics and molecular mechanics"
+HOMEPAGE="http://bioinformatics.org/ghemical/"
+
+SRC_URI="http://bioinformatics.org/ghemical/download/current/${P}.tar.gz"
+LICENSE="GPL-2"
+
+SLOT="0"
+
+KEYWORDS="~amd64 ~x86"
+IUSE="threads openbabel seamonkey"
+RDEPEND="virtual/glut
+ virtual/glu
+ virtual/opengl
+ sci-chemistry/mpqc
+ x11-libs/libICE
+ x11-libs/libSM
+ x11-libs/libX11
+ x11-libs/libXext
+ x11-libs/libXi
+ x11-libs/libXmu
+ x11-libs/libXt
+ x11-libs/pango
+ >=x11-libs/gtk+-2.6
+ >=x11-libs/gtkglext-1.0.5
+ >=gnome-base/libglade-2.4
+ >=sci-libs/libghemical-2.96
+ >=x11-libs/liboglappth-0.96
+ openbabel? ( >=sci-chemistry/openbabel-2 )
+ threads? ( >=dev-libs/glib-2.4 )"
+
+DEPEND="${RDEPEND}
+ >=dev-util/pkgconfig-0.15"
+
+src_compile() {
+
+# With amd64, if you want gamess I recommend adding gamess and gtk-gamess to package.provided for now.
+
+# Change the built-in help browser.
+ if use seamonkey ; then
+ sed -i -e 's|mozilla|seamonkey|g' src/gtk_app.cpp || die "sed failed for seamonkey!"
+ else
+ sed -i -e 's|mozilla|firefox|g' src/gtk_app.cpp || die "sed failed for seamonkey!"
+ fi
+
+ econf \
+ $(use_enable openbabel) \
+ $(use_enable threads) \
+ || die "configure failed"
+ emake || die "make failed"
+}
+
+src_install() {
+ emake DESTDIR="${D}" install || die "install failed"
+}