./misc/openbabel [chemistry file translation program]
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Version: 2.2.3, Package name: openbabel-2.2.3
Maintained by: The OpenBSD ports mailing-list
Master sites:
Description
Open Babel is a chemical toolbox designed to speak the many languages of
chemical data. It's an open, collaborative project allowing anyone to
search, convert, analyze, or store data from molecular modeling,
chemistry, solid-state materials, biochemistry, or related areas.

It is designed to pick up where the Babel chemistry file translation
program left off, as a cross-platform program and library designed to
interconvert between many file formats used in molecular modeling and
computational chemistry.

Open Babel includes two components, a command-line utility and a
C++ library. The command-line utility is intended to be used as a
replacement for the original babel program, to translate between
various chemical file formats. The C++ library includes all of the
file-translation code as well as a wide variety of utilities to
foster development of other open source chemistry software.


Filesize: 6468.777 KB
Version History (View Complete History)
  • (2010-07-03) Updated to version: openbabel-2.2.3p0
  • (2010-01-04) Updated to version: openbabel-2.2.3
  • (2009-07-13) Updated to version: openbabel-2.2.2
  • (2008-09-01) Updated to version: openbabel-2.2.0p0
  • (2008-08-21) Updated to version: openbabel-2.2.0
  • (2007-07-09) Updated to version: openbabel-2.1.1
  • (2007-01-23) Package added to openports.se, version openbabel-2.1.0b4 (created)
[show/hide] View available PLISTS (Can be a lot of data)

CVS Commit History:

   2017-07-26 16:45:35 by Stuart Henderson | Files touched by this commit (937)
Log message:
bump LIBCXX/LIBECXX/COMPILER_LIBCXX ports.
   2017-07-16 13:19:06 by Marc Espie | Files touched by this commit (880)
Log message:
use COMPILER_LIBCXX where applicable
   2017-04-10 05:46:23 by Stuart Henderson | Files touched by this commit (276)
Log message:
use LIBCXX
   2016-09-13 10:12:14 by Christian Weisgerber | Files touched by this commit (21)
Log message:
replace libiconv module
   2016-03-27 14:53:16 by Christian Weisgerber | Files touched by this commit (33)
Log message:
g/c PFRAG.shared
   2016-03-27 14:53:16 by Christian Weisgerber | Files touched by this commit (33)
Log message:
g/c PFRAG.shared
   2016-03-27 14:53:16 by Christian Weisgerber | Files touched by this commit (33)
Log message:
g/c PFRAG.shared
   2016-03-11 13:28:34 by Christian Weisgerber | Files touched by this commit (247)
Log message:
garbage collect CONFIGURE_SHARED
   2015-05-22 05:31:20 by Antoine Jacoutot | Files touched by this commit (296)
Log message:
"/usr/local/lib/pkgconfig/" is part of mtree(8).
Packages should not own this dir to prevent its deletion or a warning that it
cannot be removed because it's not empty at pkg_delete(1) time.
   2015-05-22 05:31:20 by Antoine Jacoutot | Files touched by this commit (296)
Log message:
"/usr/local/lib/pkgconfig/" is part of mtree(8).
Packages should not own this dir to prevent its deletion or a warning that it
cannot be removed because it's not empty at pkg_delete(1) time.
   2015-04-21 12:53:16 by Stuart Henderson | Files touched by this commit (12)
Log message:
WANTLIB+=lzma pthread
   2015-02-16 15:57:14 by Christian Weisgerber | Files touched by this commit (213)
Log message:
Drop USE_GROFF from ports where the formatting differences are acceptable
or mandoc provides the more useful output.
   2015-01-17 20:16:09 by Christian Weisgerber | Files touched by this commit (3349)
Log message:
Drop remaining MD5/RMD160/SHA1 checksums.
   2014-11-04 09:27:23 by David Coppa | Files touched by this commit (1)
Log message:
Remove wrong patch; spotted by aja@
   2014-11-04 09:06:31 by David Coppa | Files touched by this commit (2)
Log message:
Remove default optimizations
   2014-11-04 09:06:31 by David Coppa | Files touched by this commit (2)
Log message:
Remove default optimizations
   2010-11-19 00:23:15 by Marc Espie | Files touched by this commit (332)
Log message:
new depends
   2010-11-05 02:24:51 by Stuart Henderson | Files touched by this commit (55)
Log message:
move to revision/new-style lib_depends
   2010-10-18 14:52:10 by Marc Espie | Files touched by this commit (151)
Log message:
USE_GROFF=Yes
   2010-07-02 11:40:18 by Antoine Jacoutot | Files touched by this commit (3)
Log message:
Remove myself from MAINTAINER.
   2010-01-03 15:56:42 by Jasper Lievisse Adriaanse | Files touched by this commit (2)
Log message:
- bugfix update of openbabel to 2.2.3
ok ajacoutot@ (MAINTAINER)
   2010-01-03 15:56:42 by Jasper Lievisse Adriaanse | Files touched by this commit (2)
Log message:
- bugfix update of openbabel to 2.2.3
ok ajacoutot@ (MAINTAINER)
   2009-07-13 03:40:03 by Antoine Jacoutot | Files touched by this commit (6)
Log message:
openbabel-2.2.2: major bugfix release and a stable upgrade
It includes the new Standardized InChI identifier, fixes for many
stereochemistry errors, significantly improved aromatic/Kekule bond
assignment, and coordinate generation. Many more bugfixes and small
improvements are included.
   2009-07-13 03:40:03 by Antoine Jacoutot | Files touched by this commit (6)
Log message:
openbabel-2.2.2: major bugfix release and a stable upgrade
It includes the new Standardized InChI identifier, fixes for many
stereochemistry errors, significantly improved aromatic/Kekule bond
assignment, and coordinate generation. Many more bugfixes and small
improvements are included.
   2009-07-13 03:40:03 by Antoine Jacoutot | Files touched by this commit (6)
Log message:
openbabel-2.2.2: major bugfix release and a stable upgrade
It includes the new Standardized InChI identifier, fixes for many
stereochemistry errors, significantly improved aromatic/Kekule bond
assignment, and coordinate generation. Many more bugfixes and small
improvements are included.
   2009-07-13 03:40:03 by Antoine Jacoutot | Files touched by this commit (6)
Log message:
openbabel-2.2.2: major bugfix release and a stable upgrade
It includes the new Standardized InChI identifier, fixes for many
stereochemistry errors, significantly improved aromatic/Kekule bond
assignment, and coordinate generation. Many more bugfixes and small
improvements are included.
   2009-07-13 03:40:03 by Antoine Jacoutot | Files touched by this commit (6)
Log message:
openbabel-2.2.2: major bugfix release and a stable upgrade
It includes the new Standardized InChI identifier, fixes for many
stereochemistry errors, significantly improved aromatic/Kekule bond
assignment, and coordinate generation. Many more bugfixes and small
improvements are included.
   2009-07-13 03:40:03 by Antoine Jacoutot | Files touched by this commit (6)
Log message:
openbabel-2.2.2: major bugfix release and a stable upgrade
It includes the new Standardized InChI identifier, fixes for many
stereochemistry errors, significantly improved aromatic/Kekule bond
assignment, and coordinate generation. Many more bugfixes and small
improvements are included.
   2008-09-01 02:51:03 by Brad Smith | Files touched by this commit (3)
Log message:
Pull in a patch from the openbabel source repo to remove
the unconditional use of __builtin_popcount if using GCC.
Eliminates the need for a newer GCC version.
ok ajacoutot@
   2008-09-01 02:51:03 by Brad Smith | Files touched by this commit (3)
Log message:
Pull in a patch from the openbabel source repo to remove
the unconditional use of __builtin_popcount if using GCC.
Eliminates the need for a newer GCC version.
ok ajacoutot@
   2008-09-01 02:51:03 by Brad Smith | Files touched by this commit (3)
Log message:
Pull in a patch from the openbabel source repo to remove
the unconditional use of __builtin_popcount if using GCC.
Eliminates the need for a newer GCC version.
ok ajacoutot@
   2008-08-20 10:08:11 by Antoine Jacoutot | Files touched by this commit (5)
Log message:
- update to openbabel-2.2.0
- gcc4 is needed to build this now
* improved force fields and coordinate generation, conformer searching,
enhanced plugins including molecular descriptors, filters, and
command-line transformations
* many formats improved or added, including CIF, mmCIF, Gaussian cube,
PQR, OpenDX cubes, and more
* improved developer API and scripting support
* many, many bugfixes
   2008-08-20 10:08:11 by Antoine Jacoutot | Files touched by this commit (5)
Log message:
- update to openbabel-2.2.0
- gcc4 is needed to build this now
* improved force fields and coordinate generation, conformer searching,
enhanced plugins including molecular descriptors, filters, and
command-line transformations
* many formats improved or added, including CIF, mmCIF, Gaussian cube,
PQR, OpenDX cubes, and more
* improved developer API and scripting support
* many, many bugfixes
   2008-08-20 10:08:11 by Antoine Jacoutot | Files touched by this commit (5)
Log message:
- update to openbabel-2.2.0
- gcc4 is needed to build this now
* improved force fields and coordinate generation, conformer searching,
enhanced plugins including molecular descriptors, filters, and
command-line transformations
* many formats improved or added, including CIF, mmCIF, Gaussian cube,
PQR, OpenDX cubes, and more
* improved developer API and scripting support
* many, many bugfixes
   2008-08-20 10:08:11 by Antoine Jacoutot | Files touched by this commit (5)
Log message:
- update to openbabel-2.2.0
- gcc4 is needed to build this now
* improved force fields and coordinate generation, conformer searching,
enhanced plugins including molecular descriptors, filters, and
command-line transformations
* many formats improved or added, including CIF, mmCIF, Gaussian cube,
PQR, OpenDX cubes, and more
* improved developer API and scripting support
* many, many bugfixes
   2008-08-20 10:08:11 by Antoine Jacoutot | Files touched by this commit (5)
Log message:
- update to openbabel-2.2.0
- gcc4 is needed to build this now
* improved force fields and coordinate generation, conformer searching,
enhanced plugins including molecular descriptors, filters, and
command-line transformations
* many formats improved or added, including CIF, mmCIF, Gaussian cube,
PQR, OpenDX cubes, and more
* improved developer API and scripting support
* many, many bugfixes
   2007-08-27 10:53:48 by Marc Espie | Files touched by this commit (1)
Log message:
fix build in case we're already installed
   2007-07-08 11:50:49 by Antoine Jacoutot | Files touched by this commit (3)
Log message:
- update to version 2.1.1
(fixes for several important crashes)
   2007-07-08 11:50:49 by Antoine Jacoutot | Files touched by this commit (3)
Log message:
- update to version 2.1.1
(fixes for several important crashes)
   2007-07-08 11:50:49 by Antoine Jacoutot | Files touched by this commit (3)
Log message:
- update to version 2.1.1
(fixes for several important crashes)
   2007-04-08 04:10:23 by Antoine Jacoutot | Files touched by this commit (4)
Log message:
- update to openbabel-2.1.0 final


   2007-04-08 04:10:23 by Antoine Jacoutot | Files touched by this commit (4)
Log message:
- update to openbabel-2.1.0 final


   2007-04-08 04:10:23 by Antoine Jacoutot | Files touched by this commit (4)
Log message:
- update to openbabel-2.1.0 final


   2007-04-08 04:10:23 by Antoine Jacoutot | Files touched by this commit (4)
Log message:
- update to openbabel-2.1.0 final


   2007-04-05 11:41:08 by Marc Espie | Files touched by this commit (80)
Log message:
mostly finish base64 checksum (missing one distfile for dnetc)