--- 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}"
 
--- 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
--- 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
-lib/openbabel/PQSformat.la
-lib/openbabel/PQSformat.so
-lib/openbabel/acrformat.a
-lib/openbabel/acrformat.la
-lib/openbabel/acrformat.so
-lib/openbabel/alchemyformat.a
-lib/openbabel/alchemyformat.la
-lib/openbabel/alchemyformat.so
-lib/openbabel/amberformat.a
-lib/openbabel/amberformat.la
-lib/openbabel/amberformat.so
-lib/openbabel/balstformat.a
-lib/openbabel/balstformat.la
-lib/openbabel/balstformat.so
-lib/openbabel/bgfformat.a
-lib/openbabel/bgfformat.la
-lib/openbabel/bgfformat.so
-lib/openbabel/boxformat.a
-lib/openbabel/boxformat.la
-lib/openbabel/boxformat.so
-lib/openbabel/cacaoformat.a
-lib/openbabel/cacaoformat.la
-lib/openbabel/cacaoformat.so
-lib/openbabel/cacheformat.a
-lib/openbabel/cacheformat.la
-lib/openbabel/cacheformat.so
-lib/openbabel/cansmilesformat.a
-lib/openbabel/cansmilesformat.la
-lib/openbabel/cansmilesformat.so
-lib/openbabel/carformat.a
-lib/openbabel/carformat.la
-lib/openbabel/carformat.so
-lib/openbabel/cccformat.a
-lib/openbabel/cccformat.la
-lib/openbabel/cccformat.so
-lib/openbabel/cdxmlformat.a
-lib/openbabel/cdxmlformat.la
-lib/openbabel/cdxmlformat.so
-lib/openbabel/chem3dformat.a
-lib/openbabel/chem3dformat.la
-lib/openbabel/chem3dformat.so
-lib/openbabel/chemdrawcdxformat.a
-lib/openbabel/chemdrawcdxformat.la
-lib/openbabel/chemdrawcdxformat.so
-lib/openbabel/chemdrawctformat.a
-lib/openbabel/chemdrawctformat.la
-lib/openbabel/chemdrawctformat.so
-lib/openbabel/chemtoolformat.a
-lib/openbabel/chemtoolformat.la
-lib/openbabel/chemtoolformat.so
-lib/openbabel/cifformat.a
-lib/openbabel/cifformat.la
-lib/openbabel/cifformat.so
-lib/openbabel/cmlformat.a
-lib/openbabel/cmlformat.la
-lib/openbabel/cmlformat.so
-lib/openbabel/cmlreactlformat.a
-lib/openbabel/cmlreactlformat.la
-lib/openbabel/cmlreactlformat.so
-lib/openbabel/copyformat.a
-lib/openbabel/copyformat.la
-lib/openbabel/copyformat.so
-lib/openbabel/crkformat.a
-lib/openbabel/crkformat.la
-lib/openbabel/crkformat.so
-lib/openbabel/cssrformat.a
-lib/openbabel/cssrformat.la
-lib/openbabel/cssrformat.so
-lib/openbabel/dmolformat.a
-lib/openbabel/dmolformat.la
-lib/openbabel/dmolformat.so
-lib/openbabel/fastaformat.a
-lib/openbabel/fastaformat.la
-lib/openbabel/fastaformat.so
-lib/openbabel/fastsearchformat.a
-lib/openbabel/fastsearchformat.la
-lib/openbabel/fastsearchformat.so
-lib/openbabel/fchkformat.a
-lib/openbabel/fchkformat.la
-lib/openbabel/fchkformat.so
-lib/openbabel/featformat.a
-lib/openbabel/featformat.la
-lib/openbabel/featformat.so
-lib/openbabel/fhformat.a
-lib/openbabel/fhformat.la
-lib/openbabel/fhformat.so
-lib/openbabel/fingerprintformat.a
-lib/openbabel/fingerprintformat.la
-lib/openbabel/fingerprintformat.so
-lib/openbabel/freefracformat.a
-lib/openbabel/freefracformat.la
-lib/openbabel/freefracformat.so
-lib/openbabel/gamessformat.a
-lib/openbabel/gamessformat.la
-lib/openbabel/gamessformat.so
-lib/openbabel/gaussformat.a
-lib/openbabel/gaussformat.la
-lib/openbabel/gaussformat.so
-lib/openbabel/ghemicalformat.a
-lib/openbabel/ghemicalformat.la
-lib/openbabel/ghemicalformat.so
-lib/openbabel/gromos96format.a
-lib/openbabel/gromos96format.la
-lib/openbabel/gromos96format.so
-lib/openbabel/hinformat.a
-lib/openbabel/hinformat.la
-lib/openbabel/hinformat.so
-lib/openbabel/inchiformat.a
-lib/openbabel/inchiformat.la
-lib/openbabel/inchiformat.so
-lib/openbabel/jaguarformat.a
-lib/openbabel/jaguarformat.la
-lib/openbabel/jaguarformat.so
-lib/openbabel/mdlformat.a
-lib/openbabel/mdlformat.la
-lib/openbabel/mdlformat.so
-lib/openbabel/mmodformat.a
-lib/openbabel/mmodformat.la
-lib/openbabel/mmodformat.so
-lib/openbabel/mol2format.a
-lib/openbabel/mol2format.la
-lib/openbabel/mol2format.so
-lib/openbabel/molreportformat.a
-lib/openbabel/molreportformat.la
-lib/openbabel/molreportformat.so
-lib/openbabel/mopacformat.a
-lib/openbabel/mopacformat.la
-lib/openbabel/mopacformat.so
-lib/openbabel/mpdformat.a
-lib/openbabel/mpdformat.la
-lib/openbabel/mpdformat.so
-lib/openbabel/mpqcformat.a
-lib/openbabel/mpqcformat.la
-lib/openbabel/mpqcformat.so
-lib/openbabel/nwchemformat.a
-lib/openbabel/nwchemformat.la
-lib/openbabel/nwchemformat.so
-lib/openbabel/pcmodelformat.a
-lib/openbabel/pcmodelformat.la
-lib/openbabel/pcmodelformat.so
-lib/openbabel/pdbformat.a
-lib/openbabel/pdbformat.la
-lib/openbabel/pdbformat.so
-lib/openbabel/povrayformat.a
-lib/openbabel/povrayformat.la
-lib/openbabel/povrayformat.so
-lib/openbabel/pubchem.a
-lib/openbabel/pubchem.la
-lib/openbabel/pubchem.so
-lib/openbabel/qchemformat.a
-lib/openbabel/qchemformat.la
-lib/openbabel/qchemformat.so
-lib/openbabel/reportformat.a
-lib/openbabel/reportformat.la
-lib/openbabel/reportformat.so
-lib/openbabel/rxnformat.a
-lib/openbabel/rxnformat.la
-lib/openbabel/rxnformat.so
-lib/openbabel/shelxformat.a
-lib/openbabel/shelxformat.la
-lib/openbabel/shelxformat.so
-lib/openbabel/smilesformat.a
-lib/openbabel/smilesformat.la
-lib/openbabel/smilesformat.so
-lib/openbabel/thermoformat.a
-lib/openbabel/thermoformat.la
-lib/openbabel/thermoformat.so
-lib/openbabel/tinkerformat.a
-lib/openbabel/tinkerformat.la
-lib/openbabel/tinkerformat.so
-lib/openbabel/titleformat.a
-lib/openbabel/titleformat.la
-lib/openbabel/titleformat.so
-lib/openbabel/turbomoleformat.a
-lib/openbabel/turbomoleformat.la
-lib/openbabel/turbomoleformat.so
-lib/openbabel/unichemformat.a
-lib/openbabel/unichemformat.la
-lib/openbabel/unichemformat.so
-lib/openbabel/viewmolformat.a
-lib/openbabel/viewmolformat.la
-lib/openbabel/viewmolformat.so
-lib/openbabel/xedformat.a
-lib/openbabel/xedformat.la
-lib/openbabel/xedformat.so
-lib/openbabel/xmlformat.a
-lib/openbabel/xmlformat.la
-lib/openbabel/xmlformat.so
-lib/openbabel/xyzformat.a
-lib/openbabel/xyzformat.la
-lib/openbabel/xyzformat.so
-lib/openbabel/yasaraformat.a
-lib/openbabel/yasaraformat.la
-lib/openbabel/yasaraformat.so
-lib/openbabel/zindoformat.a
-lib/openbabel/zindoformat.la
-lib/openbabel/zindoformat.so
+lib/openbabel/%%VERSION%%/APIInterface.a
+lib/openbabel/%%VERSION%%/APIInterface.la
+lib/openbabel/%%VERSION%%/APIInterface.so
+lib/openbabel/%%VERSION%%/CSRformat.a
+lib/openbabel/%%VERSION%%/CSRformat.la
+lib/openbabel/%%VERSION%%/CSRformat.so
+lib/openbabel/%%VERSION%%/MCDLformat.a
+lib/openbabel/%%VERSION%%/MCDLformat.la
+lib/openbabel/%%VERSION%%/MCDLformat.so
+lib/openbabel/%%VERSION%%/PQSformat.a
+lib/openbabel/%%VERSION%%/PQSformat.la
+lib/openbabel/%%VERSION%%/PQSformat.so
+lib/openbabel/%%VERSION%%/acrformat.a
+lib/openbabel/%%VERSION%%/acrformat.la
+lib/openbabel/%%VERSION%%/acrformat.so
+lib/openbabel/%%VERSION%%/adfformat.a
+lib/openbabel/%%VERSION%%/adfformat.la
+lib/openbabel/%%VERSION%%/adfformat.so
+lib/openbabel/%%VERSION%%/alchemyformat.a
+lib/openbabel/%%VERSION%%/alchemyformat.la
+lib/openbabel/%%VERSION%%/alchemyformat.so
+lib/openbabel/%%VERSION%%/amberformat.a
+lib/openbabel/%%VERSION%%/amberformat.la
+lib/openbabel/%%VERSION%%/amberformat.so
+lib/openbabel/%%VERSION%%/balstformat.a
+lib/openbabel/%%VERSION%%/balstformat.la
+lib/openbabel/%%VERSION%%/balstformat.so
+lib/openbabel/%%VERSION%%/bgfformat.a
+lib/openbabel/%%VERSION%%/bgfformat.la
+lib/openbabel/%%VERSION%%/bgfformat.so
+lib/openbabel/%%VERSION%%/boxformat.a
+lib/openbabel/%%VERSION%%/boxformat.la
+lib/openbabel/%%VERSION%%/boxformat.so
+lib/openbabel/%%VERSION%%/cacaoformat.a
+lib/openbabel/%%VERSION%%/cacaoformat.la
+lib/openbabel/%%VERSION%%/cacaoformat.so
+lib/openbabel/%%VERSION%%/cacheformat.a
+lib/openbabel/%%VERSION%%/cacheformat.la
+lib/openbabel/%%VERSION%%/cacheformat.so
+lib/openbabel/%%VERSION%%/carformat.a
+lib/openbabel/%%VERSION%%/carformat.la
+lib/openbabel/%%VERSION%%/carformat.so
+lib/openbabel/%%VERSION%%/cccformat.a
+lib/openbabel/%%VERSION%%/cccformat.la
+lib/openbabel/%%VERSION%%/cccformat.so
+lib/openbabel/%%VERSION%%/cdxmlformat.a
+lib/openbabel/%%VERSION%%/cdxmlformat.la
+lib/openbabel/%%VERSION%%/cdxmlformat.so
+lib/openbabel/%%VERSION%%/chem3dformat.a
+lib/openbabel/%%VERSION%%/chem3dformat.la
+lib/openbabel/%%VERSION%%/chem3dformat.so
+lib/openbabel/%%VERSION%%/chemdrawcdxformat.a
+lib/openbabel/%%VERSION%%/chemdrawcdxformat.la
+lib/openbabel/%%VERSION%%/chemdrawcdxformat.so
+lib/openbabel/%%VERSION%%/chemdrawctformat.a
+lib/openbabel/%%VERSION%%/chemdrawctformat.la
+lib/openbabel/%%VERSION%%/chemdrawctformat.so
+lib/openbabel/%%VERSION%%/chemkinformat.a
+lib/openbabel/%%VERSION%%/chemkinformat.la
+lib/openbabel/%%VERSION%%/chemkinformat.so
+lib/openbabel/%%VERSION%%/chemtoolformat.a
+lib/openbabel/%%VERSION%%/chemtoolformat.la
+lib/openbabel/%%VERSION%%/chemtoolformat.so
+lib/openbabel/%%VERSION%%/cifformat.a
+lib/openbabel/%%VERSION%%/cifformat.la
+lib/openbabel/%%VERSION%%/cifformat.so
+lib/openbabel/%%VERSION%%/cmlformat.a
+lib/openbabel/%%VERSION%%/cmlformat.la
+lib/openbabel/%%VERSION%%/cmlformat.so
+lib/openbabel/%%VERSION%%/cmlreactformat.a
+lib/openbabel/%%VERSION%%/cmlreactformat.la
+lib/openbabel/%%VERSION%%/cmlreactformat.so
+lib/openbabel/%%VERSION%%/copyformat.a
+lib/openbabel/%%VERSION%%/copyformat.la
+lib/openbabel/%%VERSION%%/copyformat.so
+lib/openbabel/%%VERSION%%/crkformat.a
+lib/openbabel/%%VERSION%%/crkformat.la
+lib/openbabel/%%VERSION%%/crkformat.so
+lib/openbabel/%%VERSION%%/cssrformat.a
+lib/openbabel/%%VERSION%%/cssrformat.la
+lib/openbabel/%%VERSION%%/cssrformat.so
+lib/openbabel/%%VERSION%%/dmolformat.a
+lib/openbabel/%%VERSION%%/dmolformat.la
+lib/openbabel/%%VERSION%%/dmolformat.so
+lib/openbabel/%%VERSION%%/fastaformat.a
+lib/openbabel/%%VERSION%%/fastaformat.la
+lib/openbabel/%%VERSION%%/fastaformat.so
+lib/openbabel/%%VERSION%%/fastsearchformat.a
+lib/openbabel/%%VERSION%%/fastsearchformat.la
+lib/openbabel/%%VERSION%%/fastsearchformat.so
+lib/openbabel/%%VERSION%%/fchkformat.a
+lib/openbabel/%%VERSION%%/fchkformat.la
+lib/openbabel/%%VERSION%%/fchkformat.so
+lib/openbabel/%%VERSION%%/featformat.a
+lib/openbabel/%%VERSION%%/featformat.la
+lib/openbabel/%%VERSION%%/featformat.so
+lib/openbabel/%%VERSION%%/fhformat.a
+lib/openbabel/%%VERSION%%/fhformat.la
+lib/openbabel/%%VERSION%%/fhformat.so
+lib/openbabel/%%VERSION%%/fingerprintformat.a
+lib/openbabel/%%VERSION%%/fingerprintformat.la
+lib/openbabel/%%VERSION%%/fingerprintformat.so
+lib/openbabel/%%VERSION%%/freefracformat.a
+lib/openbabel/%%VERSION%%/freefracformat.la
+lib/openbabel/%%VERSION%%/freefracformat.so
+lib/openbabel/%%VERSION%%/gamessformat.a
+lib/openbabel/%%VERSION%%/gamessformat.la
+lib/openbabel/%%VERSION%%/gamessformat.so
+lib/openbabel/%%VERSION%%/gamessukformat.a
+lib/openbabel/%%VERSION%%/gamessukformat.la
+lib/openbabel/%%VERSION%%/gamessukformat.so
+lib/openbabel/%%VERSION%%/gausscubeformat.a
+lib/openbabel/%%VERSION%%/gausscubeformat.la
+lib/openbabel/%%VERSION%%/gausscubeformat.so
+lib/openbabel/%%VERSION%%/gaussformat.a
+lib/openbabel/%%VERSION%%/gaussformat.la
+lib/openbabel/%%VERSION%%/gaussformat.so
+lib/openbabel/%%VERSION%%/gausszmatformat.a
+lib/openbabel/%%VERSION%%/gausszmatformat.la
+lib/openbabel/%%VERSION%%/gausszmatformat.so
+lib/openbabel/%%VERSION%%/ghemicalformat.a
+lib/openbabel/%%VERSION%%/ghemicalformat.la
+lib/openbabel/%%VERSION%%/ghemicalformat.so
+lib/openbabel/%%VERSION%%/gromos96format.a
+lib/openbabel/%%VERSION%%/gromos96format.la
+lib/openbabel/%%VERSION%%/gromos96format.so
+lib/openbabel/%%VERSION%%/hinformat.a
+lib/openbabel/%%VERSION%%/hinformat.la
+lib/openbabel/%%VERSION%%/hinformat.so
+lib/openbabel/%%VERSION%%/inchiformat.a
+lib/openbabel/%%VERSION%%/inchiformat.la
+lib/openbabel/%%VERSION%%/inchiformat.so
+lib/openbabel/%%VERSION%%/jaguarformat.a
+lib/openbabel/%%VERSION%%/jaguarformat.la
+lib/openbabel/%%VERSION%%/jaguarformat.so
+lib/openbabel/%%VERSION%%/mdlformat.a
+lib/openbabel/%%VERSION%%/mdlformat.la
+lib/openbabel/%%VERSION%%/mdlformat.so
+lib/openbabel/%%VERSION%%/mmcifformat.a
+lib/openbabel/%%VERSION%%/mmcifformat.la
+lib/openbabel/%%VERSION%%/mmcifformat.so
+lib/openbabel/%%VERSION%%/mmodformat.a
+lib/openbabel/%%VERSION%%/mmodformat.la
+lib/openbabel/%%VERSION%%/mmodformat.so
+lib/openbabel/%%VERSION%%/mol2format.a
+lib/openbabel/%%VERSION%%/mol2format.la
+lib/openbabel/%%VERSION%%/mol2format.so
+lib/openbabel/%%VERSION%%/moldenformat.a
+lib/openbabel/%%VERSION%%/moldenformat.la
+lib/openbabel/%%VERSION%%/moldenformat.so
+lib/openbabel/%%VERSION%%/molreportformat.a
+lib/openbabel/%%VERSION%%/molreportformat.la
+lib/openbabel/%%VERSION%%/molreportformat.so
+lib/openbabel/%%VERSION%%/mopacformat.a
+lib/openbabel/%%VERSION%%/mopacformat.la
+lib/openbabel/%%VERSION%%/mopacformat.so
+lib/openbabel/%%VERSION%%/mpdformat.a
+lib/openbabel/%%VERSION%%/mpdformat.la
+lib/openbabel/%%VERSION%%/mpdformat.so
+lib/openbabel/%%VERSION%%/mpqcformat.a
+lib/openbabel/%%VERSION%%/mpqcformat.la
+lib/openbabel/%%VERSION%%/mpqcformat.so
+lib/openbabel/%%VERSION%%/msiformat.a
+lib/openbabel/%%VERSION%%/msiformat.la
+lib/openbabel/%%VERSION%%/msiformat.so
+lib/openbabel/%%VERSION%%/msmsformat.a
+lib/openbabel/%%VERSION%%/msmsformat.la
+lib/openbabel/%%VERSION%%/msmsformat.so
+lib/openbabel/%%VERSION%%/nwchemformat.a
+lib/openbabel/%%VERSION%%/nwchemformat.la
+lib/openbabel/%%VERSION%%/nwchemformat.so
+lib/openbabel/%%VERSION%%/opendxformat.a
+lib/openbabel/%%VERSION%%/opendxformat.la
+lib/openbabel/%%VERSION%%/opendxformat.so
+lib/openbabel/%%VERSION%%/pcmodelformat.a
+lib/openbabel/%%VERSION%%/pcmodelformat.la
+lib/openbabel/%%VERSION%%/pcmodelformat.so
+lib/openbabel/%%VERSION%%/pdbformat.a
+lib/openbabel/%%VERSION%%/pdbformat.la
+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
--- 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
 
--- 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
--- 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/
--- 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/
--- 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/