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2016-08-03Revbump after graphics/gd updateadam1-2/+2
2015-11-02Add SHA512 digests for distfiles for biology category.agc1-1/+2
Existing SHA1 digests verified, all found to be the same on the machine holding the existing distfiles (morden). Existing SHA1 digests retained for now as an audit trail.
2015-04-25Recursive revbump following MesaLib update, categories a through f.tnn1-1/+2
2014-11-24Adjust !TR1 support again.joerg2-12/+18
2014-11-21Wants pkg-config.joerg1-2/+2
2014-11-20Correction to PLIST when option wx-gui is enabled.mef1-2/+3
2014-11-20(upstream) update 2.3.0 to 2.3.2mef5-28/+46
(ChangeLog) 2012-08-20 Paolo Tosco <paolo.tosco@unito.it> * src/formats/mol2format.cpp: added a check for N.4 nitrogens (fixes PR#3557898) 2012-06-09 Paolo Tosco <paolo.tosco@unito.it> * src/kekulize.cpp: reverted the r4862 patch to kekulize.cpp; the incorrect aromaticity perception of oxonium salts concerned only the MOL2 format, so the fix was applied to mol2format.cpp instead * src/formats/mol2format.cpp: added a check to improve downstream aromaticity perception on charged molecules containing oxygen 2012-06-07 Paolo Tosco <paolo.tosco@unito.it> * include/openbabel/atom.h: added protos for CountFreeSulfurs() and IsThiocarboxylSulfur() functions which are equivalent to CountFreeOxygens() and IsCarboxylOxygen() and address (di)thiocarboxyl groups * src/atom.cpp: added the CountFreeSulfurs() and IsThiocarboxylSulfur() functions * src/forcefields/forcefieldmmff94.cpp: added some additional checks to make MMFF94 atom type assignment more robust * src/formats/mol2format.cpp: added some checks to improve downstream aromaticity perception on charged molecules containing nitrogen, oxygen and sulfur * src/kekulize.cpp: added a check to fix incorrect perception of aromatic oxonium and thionium cations (NEWS) Open Babel 2.3.1 (2011-10-14) This release represents a major bug-fix release and is a stable upgrade, strongly recommended for all users of Open Babel. Many bugs and enhancements have been added since the 2.3.0 release. Citation: Please consider citing this work if you publish work which used Open Babel: Noel M. O'Boyle , Michael Banck , Craig A. James , Chris Morley , Tim Vandermeersch and Geoffrey R. Hutchison. "Open Babel: An open chemical toolbox." Journal of Cheminformatics 2011, 3:33. http://dx.doi.org/10.1186/1758-2946-3-33
2014-05-05Recursive revbump from x11/pixmanryoon1-2/+2
Fix PR pkg/48777
2014-04-07SunOS has rpc/xdr.h and builds xtcformat.so too.fhajny1-0/+2
2013-10-10Recursive revbump from pango-1.36.0ryoon1-2/+2
2013-10-09Use CMake builtin variable for mandir.obache3-6/+5
2013-09-02Revbump after cairo updateadam1-2/+2
2013-06-06Bump PKGREVISION for libXft changes for NetBSD native X support onwiz1-2/+2
NetBSD 6, requested by tron.
2013-06-04Try to fix the fallout caused by the fix for PR pkg/47882. Part 3:tron1-2/+2
Recursively bump package revisions again after the "freetype2" and "fontconfig" handling was fixed.
2013-06-03Bump freetype2 and fontconfig dependencies to current pkgsrc versions,wiz1-2/+2
to address issues with NetBSD-6(and earlier)'s fontconfig not being new enough for pango. While doing that, also bump freetype2 dependency to current pkgsrc version. Suggested by tron in PR 47882
2013-05-06When using C++11 or libc++, prefer <memory> and <unordered_map> withoutjoerg4-1/+74
the tr1 namespace.
2013-04-01Add PLIST.Linux with extra file.sbd2-2/+4
Bump PKGREVISION.
2013-04-01Use PKGMANDIRsbd3-5/+6
2013-02-16Recursive bump for png-1.6.wiz1-2/+2
2013-01-26Revbump after graphics/jpeg and textproc/icuadam1-2/+2
2012-10-08Revbump after updating graphics/pangoadam1-2/+2
2012-10-02Mass recursive bump after the dependence fix of the "cairo" packagetron1-2/+2
requested by Thomas Klausner.
2012-09-15recursive bump from libffi shlib major bumpobache1-2/+2
(additionaly, reset PKGREVISION of qt4-* sub packages from base qt4 update)
2012-09-11"user-destdir" is default these daysasau1-3/+1
2012-09-07Revbump after updating graphics/cairoadam1-2/+2
2012-06-14Recursive PKGREVISION bump for libxml2 buildlink addition.sbd2-3/+4
2012-03-03More pcre PKGREVISION bumps.wiz1-2/+2
2012-02-06Revbump forwiz1-2/+2
a) tiff update to 4.0 (shlib major change) b) glib2 update 2.30.2 (adds libffi dependency to buildlink3.mk) Enjoy.
2011-11-01Recursive bump for graphics/freetype2 buildlink addition.sbd1-1/+2
2011-10-05Reset MAINTAINER, because no response.ryoon1-2/+2
2011-10-05Initial import of openbabel-2.3.0 from wip/openbabelryoon7-0/+338
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.