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Author SHA1 Message Date
adam
77b8ed74db Revbump after graphics/gd update 2016-08-03 10:22:08 +00:00
agc
bca6c81b27 Add SHA512 digests for distfiles for biology category. 
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.
 2015-11-02 18:42:20 +00:00
tnn
255d0cb0b8 Recursive revbump following MesaLib update, categories a through f. 2015-04-25 14:20:17 +00:00
joerg
67ad55aa8d Adjust !TR1 support again. 2014-11-24 00:47:48 +00:00
joerg
a18826148d Wants pkg-config. 2014-11-21 22:14:52 +00:00
mef
081f03f18c Correction to PLIST when option wx-gui is enabled. 2014-11-20 09:10:32 +00:00
mef
ea926497d1 (upstream) update 2.3.0 to 2.3.2 
(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
 2014-11-20 09:05:56 +00:00
ryoon
60806aa001 Recursive revbump from x11/pixman 
Fix PR pkg/48777
 2014-05-05 00:47:34 +00:00
fhajny
dc42978d41 SunOS has rpc/xdr.h and builds xtcformat.so too. 2014-04-07 09:36:53 +00:00
ryoon
3fba1a52dd Recursive revbump from pango-1.36.0 2013-10-10 14:41:44 +00:00
obache
ec69670169 Use CMake builtin variable for mandir. 2013-10-09 11:39:28 +00:00
adam
d2cb6dec32 Revbump after cairo update 2013-09-02 19:50:38 +00:00
wiz
e0b49a2fed Bump PKGREVISION for libXft changes for NetBSD native X support on 
NetBSD 6, requested by tron.
 2013-06-06 12:53:40 +00:00
tron
a36fb86593 Try to fix the fallout caused by the fix for PR pkg/47882. Part 3: 
Recursively bump package revisions again after the "freetype2" and
"fontconfig" handling was fixed.
 2013-06-04 22:15:37 +00:00
wiz
c83ffb8583 Bump freetype2 and fontconfig dependencies to current pkgsrc versions, 
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
 2013-06-03 10:04:30 +00:00
joerg
5bd162c3d9 When using C++11 or libc++, prefer <memory> and <unordered_map> without 
the tr1 namespace.
 2013-05-06 14:22:42 +00:00
sbd
ebbcea08cf Add PLIST.Linux with extra file. 
Bump PKGREVISION.
 2013-04-01 08:48:46 +00:00
sbd
93ef8f1ac8 Use PKGMANDIR 2013-04-01 08:39:13 +00:00
wiz
d1b820f37b Recursive bump for png-1.6. 2013-02-16 11:18:58 +00:00
adam
f4c3b89da7 Revbump after graphics/jpeg and textproc/icu 2013-01-26 21:36:13 +00:00
adam
3f2cc57b2b Revbump after updating graphics/pango 2012-10-08 23:00:34 +00:00
tron
14215633d2 Mass recursive bump after the dependence fix of the "cairo" package 
requested by Thomas Klausner.
 2012-10-02 17:10:28 +00:00
obache
c38c120ee5 recursive bump from libffi shlib major bump 
(additionaly, reset PKGREVISION of qt4-* sub packages from base qt4 update)
 2012-09-15 10:03:29 +00:00
asau
372426dca4 "user-destdir" is default these days 2012-09-11 20:32:10 +00:00
adam
b15c922bcc Revbump after updating graphics/cairo 2012-09-07 19:16:05 +00:00
sbd
21792a9296 Recursive PKGREVISION bump for libxml2 buildlink addition. 2012-06-14 07:43:06 +00:00
wiz
e0808f0de0 More pcre PKGREVISION bumps. 2012-03-03 12:54:15 +00:00
wiz
6b5bd8d27a Revbump for 
a) tiff update to 4.0 (shlib major change)
b) glib2 update 2.30.2 (adds libffi dependency to buildlink3.mk)

Enjoy.
 2012-02-06 12:39:17 +00:00
sbd
e93e5d65e3 Recursive bump for graphics/freetype2 buildlink addition. 2011-11-01 06:11:52 +00:00
ryoon
3bb05c41db Reset MAINTAINER, because no response. 2011-10-05 22:26:48 +00:00
ryoon
605987fb45 Initial import of openbabel-2.3.0 from wip/openbabel 
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.
 2011-10-05 22:15:48 +00:00