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authorDonnie Berkholz <dberkholz@gentoo.org>2006-05-13 22:11:47 +0000
committerDonnie Berkholz <dberkholz@gentoo.org>2006-05-13 22:11:47 +0000
commit57cfa1432f5796a5e5c8e432466221dddcc69aec (patch)
tree8237d1895b55bd745326b30477185890abc858db /sci-chemistry
parentAdded ~hppa (diff)
downloadhistorical-57cfa1432f5796a5e5c8e432466221dddcc69aec.tar.gz
historical-57cfa1432f5796a5e5c8e432466221dddcc69aec.tar.bz2
historical-57cfa1432f5796a5e5c8e432466221dddcc69aec.zip
Bump. Many of the changes are internal, to help adding new translators etc. Also adds support for Perl and Python scripting, better batch conversion, support for reading gzipped files and support for InChI identifiers.
Package-Manager: portage-2.1_pre10-r5
Diffstat (limited to 'sci-chemistry')
-rw-r--r--sci-chemistry/mopac7/Manifest33
-rw-r--r--sci-chemistry/openbabel/ChangeLog12
-rw-r--r--sci-chemistry/openbabel/files/digest-openbabel-2.0.13
-rw-r--r--sci-chemistry/openbabel/openbabel-2.0.1.ebuild20
4 files changed, 62 insertions, 6 deletions
diff --git a/sci-chemistry/mopac7/Manifest b/sci-chemistry/mopac7/Manifest
index 2a69a6f60b24..3e10e0e76763 100644
--- a/sci-chemistry/mopac7/Manifest
+++ b/sci-chemistry/mopac7/Manifest
@@ -1,6 +1,31 @@
-MD5 755ecf809c78b7bee81a0e96ef8d5499 ChangeLog 1153
-MD5 87fd0c849cee4758e25fa67f07f7240e files/digest-mopac7-1.00-r1 61
-MD5 964943e0b4d2c3ddd0e5f30b9013c9cf files/digest-mopac7-1.10 61
-MD5 af1bfbb0777267a03e889b08173f2757 metadata.xml 248
+DIST mopac7-1.00.tgz 1184447 size 1184447
+DIST mopac7-1.10.tgz 1596446 RMD160 19c6c97c91d3762269e8add5b2c43c9473efcf90 SHA256 993ace860c77345d1c8629f416bfc765610b9f264e9885b3777f44b745817ab5 size 1596446
+EBUILD mopac7-1.00-r1.ebuild 1334 RMD160 5c41f587cc39bc2284465ce9cac31d92083427d5 SHA1 b014c3f762416275ef54f037a0192ff9df09ece8 SHA256 b1eb3ec066c601d25d71d7e0f629d2b6f050b9a1900435d4e7dbbf0aed9ad552 size 1334
MD5 a2642089288f0734e44306f3c29b320c mopac7-1.00-r1.ebuild 1334
+RMD160 5c41f587cc39bc2284465ce9cac31d92083427d5 mopac7-1.00-r1.ebuild 1334
+SHA256 b1eb3ec066c601d25d71d7e0f629d2b6f050b9a1900435d4e7dbbf0aed9ad552 mopac7-1.00-r1.ebuild 1334
+EBUILD mopac7-1.10-r1.ebuild 1512 RMD160 ed6a5c0453599678dc54370ec7f2ae764a6f5707 SHA1 c574b72f7462970b49a634ecd402aac6eee59352 SHA256 52139c1d38d2b86a4d07a926cc3c795da8d78cec7d1f7e8233da64cf6dda562c size 1512
+MD5 8bb3c0f7138224960fc01577b3704f28 mopac7-1.10-r1.ebuild 1512
+RMD160 ed6a5c0453599678dc54370ec7f2ae764a6f5707 mopac7-1.10-r1.ebuild 1512
+SHA256 52139c1d38d2b86a4d07a926cc3c795da8d78cec7d1f7e8233da64cf6dda562c mopac7-1.10-r1.ebuild 1512
+EBUILD mopac7-1.10.ebuild 1335 RMD160 e449e22fc279cbeae83e374ab04390584ff7262c SHA1 9694e9d25a95c5468f87be6ab3512601be5c7628 SHA256 c8c7452d1540d4362866f6c5be99f2b3b869d3916ca52e404e112ac9c264db18 size 1335
MD5 b721df58deb548582b6e517ac1a77df9 mopac7-1.10.ebuild 1335
+RMD160 e449e22fc279cbeae83e374ab04390584ff7262c mopac7-1.10.ebuild 1335
+SHA256 c8c7452d1540d4362866f6c5be99f2b3b869d3916ca52e404e112ac9c264db18 mopac7-1.10.ebuild 1335
+MISC ChangeLog 1398 RMD160 dc98edcce48f00fb5b0ad107f32641f91cdb3221 SHA1 bd41403755cc2c2558bee7efd30ba8ac2b39f5fd SHA256 0298ae5b739a07542003890ccac4b46e777ee0cb3656402714016ff6d43ad2ca size 1398
+MD5 1326fdf54ea35badcadbae2128afea08 ChangeLog 1398
+RMD160 dc98edcce48f00fb5b0ad107f32641f91cdb3221 ChangeLog 1398
+SHA256 0298ae5b739a07542003890ccac4b46e777ee0cb3656402714016ff6d43ad2ca ChangeLog 1398
+MISC metadata.xml 248 RMD160 6488d9f1ef3e05e6ac5a29ddcc818e5ead0a5230 SHA1 75a648fddef9922cdfe21fb0298a1c746190fd82 SHA256 de0ad7dc383b462c407cae015684d27c090455eac87c6f0f9ff581ef6e0b5b27 size 248
+MD5 af1bfbb0777267a03e889b08173f2757 metadata.xml 248
+RMD160 6488d9f1ef3e05e6ac5a29ddcc818e5ead0a5230 metadata.xml 248
+SHA256 de0ad7dc383b462c407cae015684d27c090455eac87c6f0f9ff581ef6e0b5b27 metadata.xml 248
+MD5 87fd0c849cee4758e25fa67f07f7240e files/digest-mopac7-1.00-r1 61
+RMD160 3fbf0dd28dc51b3f5367dc93d9227d210462e3d2 files/digest-mopac7-1.00-r1 61
+SHA256 13074a7e46c9190aede8f009a0b178cedf99699275ff263f7bdb2feba5ff0c47 files/digest-mopac7-1.00-r1 61
+MD5 803ea66052591a35eeebb0d5c690f36f files/digest-mopac7-1.10 229
+RMD160 3b5b99649b35aa0f36ea934fc30290e23e40b5a3 files/digest-mopac7-1.10 229
+SHA256 de06f6845712fea9e017e3d5b90121a60c742afa699323b7a8d8801499609193 files/digest-mopac7-1.10 229
+MD5 803ea66052591a35eeebb0d5c690f36f files/digest-mopac7-1.10-r1 229
+RMD160 3b5b99649b35aa0f36ea934fc30290e23e40b5a3 files/digest-mopac7-1.10-r1 229
+SHA256 de06f6845712fea9e017e3d5b90121a60c742afa699323b7a8d8801499609193 files/digest-mopac7-1.10-r1 229
diff --git a/sci-chemistry/openbabel/ChangeLog b/sci-chemistry/openbabel/ChangeLog
index af76c20b0911..ba61707a16e3 100644
--- a/sci-chemistry/openbabel/ChangeLog
+++ b/sci-chemistry/openbabel/ChangeLog
@@ -1,6 +1,14 @@
# ChangeLog for sci-chemistry/openbabel
-# Copyright 2000-2004 Gentoo Foundation; Distributed under the GPL v2
-# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/openbabel/ChangeLog,v 1.2 2004/12/24 20:18:30 swegener Exp $
+# Copyright 2000-2006 Gentoo Foundation; Distributed under the GPL v2
+# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/openbabel/ChangeLog,v 1.3 2006/05/13 22:11:47 spyderous Exp $
+
+*openbabel-2.0.1 (13 May 2006)
+
+ 13 May 2006; Donnie Berkholz <spyderous@gentoo.org>;
+ +openbabel-2.0.1.ebuild:
+ Bump. Many of the changes are internal, to help adding new translators etc.
+ Also adds support for Perl and Python scripting, better batch conversion,
+ support for reading gzipped files and support for InChI identifiers.
*openbabel-1.100.2 (24 Dec 2004)
diff --git a/sci-chemistry/openbabel/files/digest-openbabel-2.0.1 b/sci-chemistry/openbabel/files/digest-openbabel-2.0.1
new file mode 100644
index 000000000000..2d2da68dd9dc
--- /dev/null
+++ b/sci-chemistry/openbabel/files/digest-openbabel-2.0.1
@@ -0,0 +1,3 @@
+MD5 843a8d46c56a204cf20500b29b5a79cc openbabel-2.0.1.tar.gz 2454398
+RMD160 7b39b78bedf13ff975086a18422f713ff1a1e8f9 openbabel-2.0.1.tar.gz 2454398
+SHA256 c2f0f1c0dffd357593a57e1bce43895de988c48dae55771b7227fc96bf9546b0 openbabel-2.0.1.tar.gz 2454398
diff --git a/sci-chemistry/openbabel/openbabel-2.0.1.ebuild b/sci-chemistry/openbabel/openbabel-2.0.1.ebuild
new file mode 100644
index 000000000000..4514a332039a
--- /dev/null
+++ b/sci-chemistry/openbabel/openbabel-2.0.1.ebuild
@@ -0,0 +1,20 @@
+# Copyright 1999-2006 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/openbabel/openbabel-2.0.1.ebuild,v 1.1 2006/05/13 22:11:47 spyderous Exp $
+
+DESCRIPTION="Open Babel interconverts file formats used in molecular modeling."
+SRC_URI="mirror://sourceforge/openbabel/${P}.tar.gz"
+HOMEPAGE="http://openbabel.sourceforge.net/"
+KEYWORDS="~x86 ~sparc ~ppc ~amd64"
+SLOT="0"
+LICENSE="GPL-2"
+IUSE=""
+RDEPEND="!sci-chemistry/babel"
+
+src_install () {
+ make DESTDIR=${D} install || die
+ dodoc AUTHORS ChangeLog NEWS README THANKS
+ cd doc
+ dohtml *.html *.png
+ dodoc *.inc README* *.inc *.mol2
+}