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sci-chemistry/openbabel

Interconverts file formats used in molecular modeling

Screenshots

  • openbabel-9999
    doc java openmp perl python ruby test wxwidgets

    View      Download      Browse     License: GPL-2   
    Overlay: science (layman)
  • openbabel-2.3.2
    ~amd64 ~arm ~ppc ~x86 ~amd64-linux ~x86-linux ~ppc-macos
    doc openmp perl python test wxwidgets

    View      Download      Browse     License: GPL-2   
    Overlay: funtoo (distro)
  • openbabel-2.3.2
    ~amd64 ~arm ~ppc ~x86 ~amd64-linux ~x86-linux ~ppc-macos
    doc openmp perl python test wxwidgets

    View      Download      Browse     License: GPL-2   
    Overlay: gentoo (distro)
  • openbabel-2.3.1
    ~amd64 ~x86 ~amd64-linux ~x86-linux ~ppc-macos
    doc perl python wxwidgets

    View      Download      Browse     License: GPL-2   
    Overlay: gentoo (distro)
  • openbabel-2.3.1
    ~amd64 ~x86 ~amd64-linux ~x86-linux ~ppc-macos
    doc perl python wxwidgets

    View      Download      Browse     License: GPL-2   
    Overlay: funtoo (distro)
  • openbabel-2.3.0
    ~amd64 ~x86 ~amd64-linux ~x86-linux ~ppc-macos
    doc perl python wxwidgets

    View      Download      Browse     License: GPL-2   
    Overlay: funtoo (distro)
  • openbabel-2.3.0
    ~amd64 ~x86 ~amd64-linux ~x86-linux ~ppc-macos
    doc perl python wxwidgets

    View      Download      Browse     License: GPL-2   
    Overlay: gentoo (distro)
  • openbabel-2.2.3
    amd64 ppc ppc64 x86 ~amd64-linux ~x86-linux
    doc python swig

    View      Download      Browse     License: GPL-2   
    Overlay: gentoo (distro)
  • openbabel-2.2.3
    amd64 ppc ppc64 x86 ~amd64-linux ~x86-linux
    doc python swig

    View      Download      Browse     License: GPL-2   
    Overlay: funtoo (distro)

ChangeLog

# ChangeLog for sci-chemistry/openbabel
# Copyright 1999-2013 Gentoo Foundation; Distributed under the GPL v2
# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/openbabel/ChangeLog,v 1.62 2013/02/20 19:42:22 ago Exp $

20 Feb 2013; Agostino Sarubbo <ago@gentoo.org> openbabel-2.3.2.ebuild:
Add ~arm, wrt bug #455960

08 Feb 2013; Agostino Sarubbo <ago@gentoo.org> openbabel-2.3.2.ebuild:
Add ~ppc, wrt bug #455960

*openbabel-2.3.2 (06 Dec 2012)

06 Dec 2012; Justin Lecher <jlec@gentoo.org> +openbabel-2.3.2.ebuild,
+files/openbabel-2.3.2-test_lib_path.patch:
Version Bump prepared by Reinis Danne, #439434

26 Apr 2012; Justin Lecher <jlec@gentoo.org> openbabel-2.2.3.ebuild:
Drop unnessecary die

04 Mar 2012; Justin Lecher <jlec@gentoo.org> openbabel-2.3.1.ebuild:
Clean residual die and other comments

*openbabel-2.3.1 (04 Mar 2012)

04 Mar 2012; Justin Lecher <jlec@gentoo.org> +openbabel-2.3.1.ebuild,
metadata.xml:
Import Version BUmp from sci overlay prepared by Reinis Danne

21 Nov 2011; Justin Lecher <jlec@gentoo.org> openbabel-2.3.0.ebuild:
keyworded for ~ppc-macos, tested by Johan Hattne #352642

16 Jun 2011; Jeroen Roovers <jer@gentoo.org> openbabel-2.2.3.ebuild:
Drop HPPA keywording (bug #360573).

14 Jun 2011; Justin Lecher <jlec@gentoo.org>
files/openbabel-2.3.0-swig.patch:
Fixed empty swig patch, thanks matts88

07 May 2011; Justin Lecher <jlec@gentoo.org> openbabel-2.3.0.ebuild:
Do not test things which are installed as PDEPEND like openbabel-python

30 Apr 2011; Raúl Porcel <armin76@gentoo.org> openbabel-2.2.3.ebuild:
Drop sparc keywords

28 Apr 2011; Arfrever Frehtes Taifersar Arahesis <arfrever@gentoo.org>
openbabel-2.3.0.ebuild:
Fix circular dependencies.

28 Mar 2011; Justin Lecher <jlec@gentoo.org> openbabel-2.3.0.ebuild,
+files/openbabel-2.3.0-swig.patch:
Sane check for swig version,
https://sourceforge.net/tracker/?func=detail&aid=3253693&group_id=40728&atid=
428740

26 Mar 2011; Justin Lecher <jlec@gentoo.org> openbabel-2.2.3.ebuild:
Block sci-chemistry/openbabel-{python,perl}

26 Mar 2011; Justin Lecher <jlec@gentoo.org> openbabel-2.3.0.ebuild:
Added perl & python USE

*openbabel-2.3.0 (26 Mar 2011)

26 Mar 2011; Justin Lecher <jlec@gentoo.org> +openbabel-2.3.0.ebuild,
+files/openbabel-2.3.0-test_lib_path.patch:
Version Bump, mainly prepared by rei4dan, #345093

02 Mar 2011; Justin Lecher <jlec@gentoo.org> openbabel-2.2.3.ebuild:
Correct Slots for gtk 3 introduction to tree

18 Jul 2010; Justin Lecher <jlec@gentoo.org> -openbabel-2.2.1.ebuild,
-openbabel-2.2.2-r1.ebuild:
QA, cleaned old/broken versions

18 Jul 2010; Raúl Porcel <armin76@gentoo.org> openbabel-2.2.3.ebuild:
sparc stable wrt #324283

18 Jul 2010; <nixnut@gentoo.org> openbabel-2.2.3.ebuild:
ppc stable #324283

09 Jul 2010; Samuli Suominen <ssuominen@gentoo.org>
openbabel-2.2.3.ebuild:
ppc64 stable wrt #324283

07 Jul 2010; Christian Faulhammer <fauli@gentoo.org>
openbabel-2.2.3.ebuild:
stable x86, bug 324283

01 Jul 2010; Jeroen Roovers <jer@gentoo.org> openbabel-2.2.3.ebuild:
Stable for HPPA (bug #324283).

28 Jun 2010; Justin Lecher <jlec@gentoo.org> openbabel-2.2.3.ebuild:
Keyworded for *-linux prefix

24 Jun 2010; Pacho Ramos <pacho@gentoo.org> openbabel-2.2.3.ebuild:
stable amd64, bug 324283

19 Jun 2010; Kacper Kowalik <xarthisius@gentoo.org>
openbabel-2.2.3.ebuild:
Fix docs install wrt bug 322543. Thanks Juergen Rose
<rose@rz.uni-potsdam.de> for reporting

20 May 2010; Justin Lecher <jlec@gentoo.org> openbabel-2.2.2-r1.ebuild,
openbabel-2.2.3.ebuild:
Fixes for PYTHON ABI, #316179

19 Jan 2010; Jeroen Roovers <jer@gentoo.org> openbabel-2.2.1.ebuild:
Stable for HPPA too.

26 Dec 2009; Raúl Porcel <armin76@gentoo.org> openbabel-2.2.1.ebuild:
sparc stable wrt #288413

30 Nov 2009; Joseph Jezak <josejx@gentoo.org> openbabel-2.2.1.ebuild:
Marked ppc64 stable.

17 Oct 2009; Markus Meier <maekke@gentoo.org> openbabel-2.2.1.ebuild:
x86 stable, bug #288413

11 Oct 2009; nixnut <nixnut@gentoo.org> openbabel-2.2.1.ebuild:
ppc stable #288413

10 Oct 2009; Samuli Suominen <ssuominen@gentoo.org>
openbabel-2.2.1.ebuild:
amd64 stable wrt #287697

01 Aug 2009; Marcus D. Hanwell <cryos@gentoo.org> -openbabel-2.1.1.ebuild,
-openbabel-2.2.0.ebuild,
-files/openbabel-2.2.0_beta4-obconversion_api_fix.diff,
-openbabel-2.2.2.ebuild:
Removed old versions that are no longer required.

*openbabel-2.2.3 (01 Aug 2009)

01 Aug 2009; Marcus D. Hanwell <cryos@gentoo.org> +openbabel-2.2.3.ebuild:
Version bump.

*openbabel-2.2.2-r1 (24 Jul 2009)

24 Jul 2009; Marcus D. Hanwell <cryos@gentoo.org>
+openbabel-2.2.2-r1.ebuild, metadata.xml:
Added python use flag to optionally build python language bindings. Thanks
to My Th <rei4dan@gmail.com> for suggestions in bug 212212.

*openbabel-2.2.2 (18 Jul 2009)

18 Jul 2009; Marcus D. Hanwell <cryos@gentoo.org> +openbabel-2.2.2.ebuild:
Version bump.

13 Jun 2009; Torsten Veller <tove@gentoo.org> openbabel-2.2.1.ebuild:
Add missing die: "..." -> die "..."

18 Apr 2009; Jeroen Roovers <jer@gentoo.org> openbabel-2.2.1:
Marked ~hppa (bug #260777).

*openbabel-2.2.1 (02 Mar 2009)

02 Mar 2009; Marcus D. Hanwell <cryos@gentoo.org>
-openbabel-2.2.1_beta3-r1.ebuild, +openbabel-2.2.1.ebuild:
Version bump, removed old beta.

01 Mar 2009; Marcus D. Hanwell <cryos@gentoo.org>
+files/openbabel-2.2.0-doxyfile.patch:
Added missing patch file, sorry.

*openbabel-2.2.1_beta3-r1 (28 Feb 2009)

28 Feb 2009; Marcus D. Hanwell <cryos@gentoo.org>
-openbabel-2.2.1_beta3.ebuild, +openbabel-2.2.1_beta3-r1.ebuild:
Integrated some improvements from My Th <rei4dan@gmail.com> in bug 212212.

*openbabel-2.2.1_beta3 (18 Feb 2009)

18 Feb 2009; Marcus D. Hanwell <cryos@gentoo.org>
-openbabel-2.2.0_beta5.ebuild, +openbabel-2.2.1_beta3.ebuild:
Removed old version, added updated version of upcoming patch release.

02 Nov 2008; Mike Frysinger <vapier@gentoo.org> openbabel-2.2.0.ebuild:
Add ppc64 love for KDE 4.

*openbabel-2.2.0 (06 Jul 2008)

06 Jul 2008; Markus Dittrich <markusle@gentoo.org> openbabel-2.0.2.ebuild,
-openbabel-2.1.0.ebuild, openbabel-2.1.1.ebuild,
-openbabel-2.2.0_beta4-r1.ebuild, +openbabel-2.2.0.ebuild:
Version bump (fixes bug #230803). Removed old ebuilds.

*openbabel-2.2.0_beta5 (19 May 2008)

19 May 2008; Marcus D. Hanwell <cryos@gentoo.org>
+openbabel-2.2.0_beta5.ebuild:
Version bump.

27 Apr 2008; Marcus D. Hanwell <cryos@gentoo.org>
-openbabel-2.2.0_beta4.ebuild:
Removed in favour of newer revision.

*openbabel-2.2.0_beta4-r1 (21 Apr 2008)

21 Apr 2008; Marcus D. Hanwell <cryos@gentoo.org>
+files/openbabel-2.2.0_beta4-obconversion_api_fix.diff,
+openbabel-2.2.0_beta4-r1.ebuild:
Bug 216057 - added back in missing API element.

*openbabel-2.2.0_beta4 (01 Mar 2008)

01 Mar 2008; Marcus D. Hanwell <cryos@gentoo.org>
+openbabel-2.2.0_beta4.ebuild:
Version bump.

*openbabel-2.1.1 (11 Jul 2007)

11 Jul 2007; Marcus D. Hanwell <cryos@gentoo.org> +openbabel-2.1.1.ebuild:
Version bump.

*openbabel-2.1.0 (08 Apr 2007)

08 Apr 2007; Marcus D. Hanwell <cryos@gentoo.org> metadata.xml,
+openbabel-2.1.0.ebuild:
Version bump and added a longdescription in metadata.

07 Jan 2007; Danny van Dyk <kugelfang@gentoo.org>
-openbabel-1.100.2.ebuild, -openbabel-2.0.1.ebuild:
QA: Removed unused versions.

20 Sep 2006; Donnie Berkholz <dberkholz@gentoo.org>; metadata.xml:
(#148281) Change herd to sci-chemistry from sci.

28 Aug 2006; Gustavo Zacarias <gustavoz@gentoo.org>
openbabel-2.0.2.ebuild:
Stable on sparc

23 Aug 2006; <blubb@gentoo.org> openbabel-2.0.2.ebuild:
stable on amd64

20 Aug 2006; Donnie Berkholz <dberkholz@gentoo.org>;
openbabel-2.0.2.ebuild:
Stable on x86/ppc.

03 Aug 2006; Gustavo Zacarias <gustavoz@gentoo.org>
openbabel-2.0.1.ebuild:
Stable on sparc

*openbabel-2.0.2 (25 Jul 2006)

25 Jul 2006; Patrick Kursawe <phosphan@gentoo.org>
+openbabel-2.0.2.ebuild:
Version bump

09 Jul 2006; Donnie Berkholz <dberkholz@gentoo.org>;
openbabel-2.0.1.ebuild:
x86/ppc stable.

*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)

24 Dec 2004; Olivier Fisette <ribosome@gentoo.org> +metadata.xml,
+openbabel-1.100.2.ebuild:
Moved from app-sci/openbabel to sci-chemistry/openbabel.

06 Jun 2004; Danny van Dyk <kugelfang@gentoo.org> openbabel-1.100.2.ebuild:
Marked stable on amd64.

15 May 2004; Danny van Dyk <kugelfang@gentoo.org> openbabel-1.100.2.ebuild:
Marked ~amd64.

01 Apr 2004; Patrick Kursawe <phosphan@gentoo.org> openbabel-1.100.1.ebuild:
Cleanup

01 Apr 2004; Patrick Kursawe <phosphan@gentoo.org> openbabel-1.100.2.ebuild:
Stable for ppc

24 Feb 2004; Luca Barbato <lu_zero@gentoo.org> openbabel-1.100.2.ebuild:
Marked ~ppc

*openbabel-1.100.2 (24 Feb 2004)

24 Feb 2004; Patrick Kursawe <phosphan@gentoo.org> openbabel-1.100.2.ebuild:
Version bump

16 Dec 2003; Jason Wever <weeve@gentoo.org> openbabel-1.100.1.ebuild:
Added ~sparc keyword to fix broken dependencies in app-sci/xdrawchem.

*openbabel-1.100.1 (24 Sep 2003)

24 Sep 2003; Patrick Kursawe <phosphan@gentoo.org> metadata.xml,
openbabel-1.100.1.ebuild:
Initial import, modified from bug 28536