Date: Sun, 6 Jul 2008 15:19:19 GMT From: Max Brazhnikov <makc@issp.ac.ru> To: freebsd-gnats-submit@FreeBSD.org Subject: ports/125335: science/openbabel: update and take maintainership Message-ID: <200807061519.m66FJJDW011293@www.freebsd.org> Resent-Message-ID: <200807061520.m66FK3vT099061@freefall.freebsd.org>
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>Number: 125335
>Category: ports
>Synopsis: science/openbabel: update and take maintainership
>Confidential: no
>Severity: non-critical
>Priority: low
>Responsible: freebsd-ports-bugs
>State: open
>Quarter:
>Keywords:
>Date-Required:
>Class: maintainer-update
>Submitter-Id: current-users
>Arrival-Date: Sun Jul 06 15:20:03 UTC 2008
>Closed-Date:
>Last-Modified:
>Originator: Max Brazhnikov
>Release: FreeBSD 7.0-STABLE i386
>Organization:
>Environment:
FreeBSD luna.dio.ru 7.0-STABLE FreeBSD 7.0-STABLE #0: Sun Jun 8 18:13:48 MSD 2008 root@luna.dio.ru:/usr/obj/usr/freebsd/7/src/sys/LUNA i386
>Description:
kdeedu from KDE4 requires openbabel>= 2.2.0
update port, bump portrevision for dependant ports since openbabel-2.2.0 doesn't install libinchi.so.0
tested on my local tinderbox
>How-To-Repeat:
>Fix:
Patch attached with submission follows:
diff -ruN --exclude=CVS science/openbabel/Makefile science/openbabel/Makefile
--- science/openbabel/Makefile 2007-08-20 13:05:30.000000000 +0400
+++ science/openbabel/Makefile 2008-07-06 13:58:20.000000000 +0400
@@ -7,18 +7,20 @@
#
PORTNAME= openbabel
-PORTVERSION= 2.1.1
+PORTVERSION= 2.2.0
CATEGORIES= science
MASTER_SITES= SF
-MAINTAINER= ports@FreeBSD.org
+MAINTAINER= makc@issp.ac.ru
COMMENT= Chemistry file translation program
USE_GNOME= gnomehack gnometarget libxml2
USE_AUTOTOOLS= libtool:15
USE_LDCONFIG= yes
-MAN1= obchiral.1 obfit.1 obgrep.1 obprop.1 obrotate.1 openbabel.1
+MAN1= obchiral.1 obconformer.1 obenergy.1 obfit.1 obgen.1 obgrep.1 \
+ obminimize.1 obprobe.1 obprop.1 obrotamer.1 obrotate.1 \
+ openbabel.1 roundtrip.1
PLIST_SUB= VERSION="${PORTVERSION}"
diff -ruN --exclude=CVS science/openbabel/distinfo science/openbabel/distinfo
--- science/openbabel/distinfo 2007-08-20 13:05:30.000000000 +0400
+++ science/openbabel/distinfo 2008-07-06 13:42:10.000000000 +0400
@@ -1,3 +1,3 @@
-MD5 (openbabel-2.1.1.tar.gz) = a2a002c6913d6fb94fdc7dede2166194
-SHA256 (openbabel-2.1.1.tar.gz) = 2e36ac296d60ca2b296743e766b8180d11c18eaa46c09808abeb28934e64fbe5
-SIZE (openbabel-2.1.1.tar.gz) = 6149509
+MD5 (openbabel-2.2.0.tar.gz) = 643a18c7ba09254d36e93afd6277346f
+SHA256 (openbabel-2.2.0.tar.gz) = a898b79336c7372c901bcc7e5f83db7b8e79f8e864be6a262f515b3e088bc607
+SIZE (openbabel-2.2.0.tar.gz) = 6127264
diff -ruN --exclude=CVS science/openbabel/pkg-plist science/openbabel/pkg-plist
--- science/openbabel/pkg-plist 2007-08-20 13:05:30.000000000 +0400
+++ science/openbabel/pkg-plist 2008-07-06 14:03:17.000000000 +0400
@@ -1,35 +1,47 @@
bin/obchiral
+bin/obconformer
bin/obenergy
bin/obfit
+bin/obgen
bin/obgrep
bin/obminimize
+bin/obprobe
bin/obprop
bin/obrotamer
bin/obrotate
bin/openbabel
bin/roundtrip
include/inchi/inchi_api.h
+include/openbabel-2.0/openbabel/alias.h
include/openbabel-2.0/openbabel/atom.h
+include/openbabel-2.0/openbabel/atomclass.h
include/openbabel-2.0/openbabel/babelconfig.h
include/openbabel-2.0/openbabel/base.h
include/openbabel-2.0/openbabel/bitvec.h
include/openbabel-2.0/openbabel/bond.h
include/openbabel-2.0/openbabel/bondtyper.h
+include/openbabel-2.0/openbabel/builder.h
include/openbabel-2.0/openbabel/canon.h
include/openbabel-2.0/openbabel/chains.h
include/openbabel-2.0/openbabel/chemdrawcdx.h
include/openbabel-2.0/openbabel/chiral.h
include/openbabel-2.0/openbabel/data.h
+include/openbabel-2.0/openbabel/descriptor.h
include/openbabel-2.0/openbabel/dlhandler.h
include/openbabel-2.0/openbabel/fingerprint.h
include/openbabel-2.0/openbabel/forcefield.h
+include/openbabel-2.0/openbabel/format.h
include/openbabel-2.0/openbabel/generic.h
include/openbabel-2.0/openbabel/grid.h
+include/openbabel-2.0/openbabel/griddata.h
include/openbabel-2.0/openbabel/groupcontrib.h
include/openbabel-2.0/openbabel/internalcoord.h
include/openbabel-2.0/openbabel/kinetics.h
include/openbabel-2.0/openbabel/lineend.h
+include/openbabel-2.0/openbabel/locale.h
include/openbabel-2.0/openbabel/math/matrix3x3.h
+include/openbabel-2.0/openbabel/math/spacegroup.h
+include/openbabel-2.0/openbabel/math/transform3d.h
include/openbabel-2.0/openbabel/math/vector3.h
include/openbabel-2.0/openbabel/matrix.h
include/openbabel-2.0/openbabel/mol.h
@@ -39,249 +51,313 @@
include/openbabel-2.0/openbabel/obiter.h
include/openbabel-2.0/openbabel/obmolecformat.h
include/openbabel-2.0/openbabel/obutil.h
+include/openbabel-2.0/openbabel/op.h
+include/openbabel-2.0/openbabel/optransform.h
include/openbabel-2.0/openbabel/parsmart.h
include/openbabel-2.0/openbabel/patty.h
include/openbabel-2.0/openbabel/phmodel.h
-include/openbabel-2.0/openbabel/pluginiter.h
+include/openbabel-2.0/openbabel/plugin.h
+include/openbabel-2.0/openbabel/pointgroup.h
include/openbabel-2.0/openbabel/rand.h
include/openbabel-2.0/openbabel/reaction.h
include/openbabel-2.0/openbabel/residue.h
include/openbabel-2.0/openbabel/ring.h
include/openbabel-2.0/openbabel/rotamer.h
include/openbabel-2.0/openbabel/rotor.h
+include/openbabel-2.0/openbabel/tokenst.h
include/openbabel-2.0/openbabel/typer.h
include/openbabel-2.0/openbabel/xml.h
-lib/libinchi.a
-lib/libinchi.la
-lib/libinchi.so
-lib/libinchi.so.0
lib/libopenbabel.a
lib/libopenbabel.la
lib/libopenbabel.so
lib/libopenbabel.so.3
-lib/openbabel/APIInterface.a
-lib/openbabel/APIInterface.la
-lib/openbabel/APIInterface.so
-lib/openbabel/CSRformat.a
-lib/openbabel/CSRformat.la
-lib/openbabel/CSRformat.so
-lib/openbabel/PQSformat.a
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-lib/openbabel/PQSformat.so
-lib/openbabel/acrformat.a
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-lib/openbabel/acrformat.so
-lib/openbabel/alchemyformat.a
-lib/openbabel/alchemyformat.la
-lib/openbabel/alchemyformat.so
-lib/openbabel/amberformat.a
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-lib/openbabel/amberformat.so
-lib/openbabel/balstformat.a
-lib/openbabel/balstformat.la
-lib/openbabel/balstformat.so
-lib/openbabel/bgfformat.a
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-lib/openbabel/bgfformat.so
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-lib/openbabel/cmlreactlformat.a
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+lib/openbabel/%%VERSION%%/pdbformat.so
+lib/openbabel/%%VERSION%%/pngformat.a
+lib/openbabel/%%VERSION%%/pngformat.la
+lib/openbabel/%%VERSION%%/pngformat.so
+lib/openbabel/%%VERSION%%/povrayformat.a
+lib/openbabel/%%VERSION%%/povrayformat.la
+lib/openbabel/%%VERSION%%/povrayformat.so
+lib/openbabel/%%VERSION%%/pqrformat.a
+lib/openbabel/%%VERSION%%/pqrformat.la
+lib/openbabel/%%VERSION%%/pqrformat.so
+lib/openbabel/%%VERSION%%/pubchem.a
+lib/openbabel/%%VERSION%%/pubchem.la
+lib/openbabel/%%VERSION%%/pubchem.so
+lib/openbabel/%%VERSION%%/qchemformat.a
+lib/openbabel/%%VERSION%%/qchemformat.la
+lib/openbabel/%%VERSION%%/qchemformat.so
+lib/openbabel/%%VERSION%%/reportformat.a
+lib/openbabel/%%VERSION%%/reportformat.la
+lib/openbabel/%%VERSION%%/reportformat.so
+lib/openbabel/%%VERSION%%/rsmiformat.a
+lib/openbabel/%%VERSION%%/rsmiformat.la
+lib/openbabel/%%VERSION%%/rsmiformat.so
+lib/openbabel/%%VERSION%%/rxnformat.a
+lib/openbabel/%%VERSION%%/rxnformat.la
+lib/openbabel/%%VERSION%%/rxnformat.so
+lib/openbabel/%%VERSION%%/shelxformat.a
+lib/openbabel/%%VERSION%%/shelxformat.la
+lib/openbabel/%%VERSION%%/shelxformat.so
+lib/openbabel/%%VERSION%%/smilesformat.a
+lib/openbabel/%%VERSION%%/smilesformat.la
+lib/openbabel/%%VERSION%%/smilesformat.so
+lib/openbabel/%%VERSION%%/thermoformat.a
+lib/openbabel/%%VERSION%%/thermoformat.la
+lib/openbabel/%%VERSION%%/thermoformat.so
+lib/openbabel/%%VERSION%%/tinkerformat.a
+lib/openbabel/%%VERSION%%/tinkerformat.la
+lib/openbabel/%%VERSION%%/tinkerformat.so
+lib/openbabel/%%VERSION%%/titleformat.a
+lib/openbabel/%%VERSION%%/titleformat.la
+lib/openbabel/%%VERSION%%/titleformat.so
+lib/openbabel/%%VERSION%%/turbomoleformat.a
+lib/openbabel/%%VERSION%%/turbomoleformat.la
+lib/openbabel/%%VERSION%%/turbomoleformat.so
+lib/openbabel/%%VERSION%%/unichemformat.a
+lib/openbabel/%%VERSION%%/unichemformat.la
+lib/openbabel/%%VERSION%%/unichemformat.so
+lib/openbabel/%%VERSION%%/viewmolformat.a
+lib/openbabel/%%VERSION%%/viewmolformat.la
+lib/openbabel/%%VERSION%%/viewmolformat.so
+lib/openbabel/%%VERSION%%/xedformat.a
+lib/openbabel/%%VERSION%%/xedformat.la
+lib/openbabel/%%VERSION%%/xedformat.so
+lib/openbabel/%%VERSION%%/xmlformat.a
+lib/openbabel/%%VERSION%%/xmlformat.la
+lib/openbabel/%%VERSION%%/xmlformat.so
+lib/openbabel/%%VERSION%%/xtcformat.a
+lib/openbabel/%%VERSION%%/xtcformat.la
+lib/openbabel/%%VERSION%%/xtcformat.so
+lib/openbabel/%%VERSION%%/xyzformat.a
+lib/openbabel/%%VERSION%%/xyzformat.la
+lib/openbabel/%%VERSION%%/xyzformat.so
+lib/openbabel/%%VERSION%%/yasaraformat.a
+lib/openbabel/%%VERSION%%/yasaraformat.la
+lib/openbabel/%%VERSION%%/yasaraformat.so
+lib/openbabel/%%VERSION%%/zindoformat.a
+lib/openbabel/%%VERSION%%/zindoformat.la
+lib/openbabel/%%VERSION%%/zindoformat.so
libdata/pkgconfig/openbabel-2.0.pc
%%DATADIR%%/%%VERSION%%/SMARTS_InteLigand.txt
+%%DATADIR%%/%%VERSION%%/UFF.prm
%%DATADIR%%/%%VERSION%%/aromatic.txt
%%DATADIR%%/%%VERSION%%/atomtyp.txt
%%DATADIR%%/%%VERSION%%/bondtyp.txt
%%DATADIR%%/%%VERSION%%/element.txt
+%%DATADIR%%/%%VERSION%%/fragments.txt
%%DATADIR%%/%%VERSION%%/ghemical.prm
%%DATADIR%%/%%VERSION%%/isotope-small.txt
%%DATADIR%%/%%VERSION%%/isotope.txt
%%DATADIR%%/%%VERSION%%/logp.txt
+%%DATADIR%%/%%VERSION%%/mmff94.ff
+%%DATADIR%%/%%VERSION%%/mmff94s.ff
+%%DATADIR%%/%%VERSION%%/mmffang.par
+%%DATADIR%%/%%VERSION%%/mmffbndk.par
+%%DATADIR%%/%%VERSION%%/mmffbond.par
+%%DATADIR%%/%%VERSION%%/mmffchg.par
+%%DATADIR%%/%%VERSION%%/mmffdef.par
+%%DATADIR%%/%%VERSION%%/mmffdfsb.par
+%%DATADIR%%/%%VERSION%%/mmffoop.par
+%%DATADIR%%/%%VERSION%%/mmffpbci.par
+%%DATADIR%%/%%VERSION%%/mmffprop.par
+%%DATADIR%%/%%VERSION%%/mmffs_oop.par
+%%DATADIR%%/%%VERSION%%/mmffs_tor.par
+%%DATADIR%%/%%VERSION%%/mmffstbn.par
+%%DATADIR%%/%%VERSION%%/mmfftor.par
+%%DATADIR%%/%%VERSION%%/mmffvdw.par
%%DATADIR%%/%%VERSION%%/mr.txt
%%DATADIR%%/%%VERSION%%/patterns.txt
%%DATADIR%%/%%VERSION%%/phmodel.txt
+%%DATADIR%%/%%VERSION%%/plugindefines.txt
%%DATADIR%%/%%VERSION%%/psa.txt
%%DATADIR%%/%%VERSION%%/resdata.txt
+%%DATADIR%%/%%VERSION%%/ringtyp.txt
+%%DATADIR%%/%%VERSION%%/space-groups.txt
%%DATADIR%%/%%VERSION%%/torlib.txt
%%DATADIR%%/%%VERSION%%/types.txt
@dirrm %%DATADIR%%/%%VERSION%%
@dirrm %%DATADIR%%
+@dirrm lib/openbabel/%%VERSION%%
@dirrm lib/openbabel
@dirrm include/openbabel-2.0/openbabel/math
@dirrm include/openbabel-2.0/openbabel
diff -ruN --exclude=CVS biology/xdrawchem/Makefile biology/xdrawchem/Makefile
--- biology/xdrawchem/Makefile 2008-06-06 17:08:29.000000000 +0400
+++ biology/xdrawchem/Makefile 2008-07-06 14:35:15.000000000 +0400
@@ -7,7 +7,7 @@
PORTNAME= xdrawchem
PORTVERSION= 1.9.9
-PORTREVISION= 5
+PORTREVISION= 6
CATEGORIES= biology
MASTER_SITES= SF
diff -ruN --exclude=CVS science/gchemutils/Makefile science/gchemutils/Makefile
--- science/gchemutils/Makefile 2008-06-06 17:59:00.000000000 +0400
+++ science/gchemutils/Makefile 2008-07-06 14:35:27.000000000 +0400
@@ -7,7 +7,7 @@
PORTNAME= gchemutils
PORTVERSION= 0.8.6
-PORTREVISION= 1
+PORTREVISION= 2
CATEGORIES= science
MASTER_SITES= ${MASTER_SITE_SAVANNAH}
MASTER_SITE_SUBDIR= ${PORTNAME}/0.8
diff -ruN --exclude=CVS science/ghemical/Makefile science/ghemical/Makefile
--- science/ghemical/Makefile 2008-06-06 17:59:00.000000000 +0400
+++ science/ghemical/Makefile 2008-07-06 14:35:34.000000000 +0400
@@ -6,7 +6,7 @@
PORTNAME= ghemical
PORTVERSION= 2.10
-PORTREVISION= 3
+PORTREVISION= 4
CATEGORIES= science
MASTER_SITES= http://www.uku.fi/~thassine/projects/download/ \
http://bioinformatics.org/ghemical/download/
diff -ruN --exclude=CVS science/libghemical/Makefile science/libghemical/Makefile
--- science/libghemical/Makefile 2007-09-30 08:47:22.000000000 +0400
+++ science/libghemical/Makefile 2008-07-06 14:35:42.000000000 +0400
@@ -6,7 +6,7 @@
PORTNAME= libghemical
PORTVERSION= 2.10
-PORTREVISION= 3
+PORTREVISION= 4
CATEGORIES= science
MASTER_SITES= http://www.uku.fi/~thassine/projects/download/ \
http://bioinformatics.org/ghemical/download/
diff -ruN --exclude=CVS science/v_sim/Makefile science/v_sim/Makefile
--- science/v_sim/Makefile 2008-06-06 17:59:04.000000000 +0400
+++ science/v_sim/Makefile 2008-07-06 14:35:54.000000000 +0400
@@ -6,7 +6,7 @@
PORTNAME= v_sim
PORTVERSION= 3.4.0
-PORTREVISION= 1
+PORTREVISION= 2
CATEGORIES= science
MASTER_SITES= http://www-drfmc.cea.fr/sp2m/L_Sim/V_Sim/download/
>Release-Note:
>Audit-Trail:
>Unformatted:
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