Update to 2.0.0.

PR:		ports/90558
Submitted by:	Ports Fury

3 files changed, 165 insertions, 62 deletions

diff --git a/science/openbabel/Makefile b/science/openbabel/Makefile
index f07fefa..bf111c6 100644
--- a/science/openbabel/Makefile
+++ b/science/openbabel/Makefile
@@ -7,7 +7,7 @@
 #
 
 PORTNAME=	openbabel
-PORTVERSION=	1.100.2
+PORTVERSION=	2.0.0
 CATEGORIES=	science
 MASTER_SITES=	${MASTER_SITE_SOURCEFORGE}
 MASTER_SITE_SUBDIR=	${PORTNAME}
@@ -15,12 +15,25 @@ MASTER_SITE_SUBDIR=	${PORTNAME}
 MAINTAINER=	ports@FreeBSD.org
 COMMENT=	Chemistry file translation program
 
+USE_GCC=	3.4+
+USE_GNOME=	gnomehack gnometarget libxml2
 USE_AUTOTOOLS=	libtool:15
-USE_GNOME=	gnomehack gnometarget pkgconfig
-GNU_CONFIGURE=	yes
-CONFIGURE_ARGS=	--program-prefix=open
 INSTALLS_SHLIB=	yes
 
-MAN1=	openbabel.1
+MAN1=		obchiral.1 obfit.1 obgrep.1 obprop.1 obrotate.1 openbabel.1 
+
+PLIST_SUB=	VERSION="${PORTVERSION}"
+
+post-extract:
+	@${LN} -sf babel.1 ${WRKSRC}/doc/openbabel.1
+
+post-patch:
+	@${REINPLACE_CMD} -e \
+		's|= babel|= openbabel|g' ${WRKSRC}/doc/Makefile.in
+	@${REINPLACE_CMD} -e 's| babel| openbabel|g ; \
+		 s|"babel|"openbabel|g' ${WRKSRC}/doc/o*.1
+	@${REINPLACE_CMD} -e 's|^babel|openbabel|g ; \
+		 s|(babel|(openbabel|g ; \
+		 s|= babel|= openbabel|g' ${WRKSRC}/src/Makefile.in
 
 .include <bsd.port.mk>
diff --git a/science/openbabel/distinfo b/science/openbabel/distinfo
index fcadc92..76c8bd9 100644
--- a/science/openbabel/distinfo
+++ b/science/openbabel/distinfo
@@ -1,3 +1,3 @@
-MD5 (openbabel-1.100.2.tar.gz) = 03de74acaadc4beb651f96485169ec65
-SHA256 (openbabel-1.100.2.tar.gz) = 15c2f968c475bf8b9e0759ae455b0d7b06e6810c78a2cc2ae1de4cc11bb5f8fb
-SIZE (openbabel-1.100.2.tar.gz) = 1010494
+MD5 (openbabel-2.0.0.tar.gz) = 3bddfa9188042e2518eb53c064279b4e
+SHA256 (openbabel-2.0.0.tar.gz) = 3fa557923daa8bea135a017910c78d8edcc49b4eec7ceadadbd2704f89455cb9
+SIZE (openbabel-2.0.0.tar.gz) = 2421670
diff --git a/science/openbabel/pkg-plist b/science/openbabel/pkg-plist
index 5b4fdc0..78bb358 100644
--- a/science/openbabel/pkg-plist
+++ b/science/openbabel/pkg-plist
@@ -1,58 +1,148 @@
+bin/obchiral
+bin/obfit
+bin/obgrep
+bin/obprop
+bin/obrotate
 bin/openbabel
-bin/openobfit
-bin/openobgrep
-bin/openobrotate
-include/openbabel/aromatic.h
-include/openbabel/atomtyp.h
-include/openbabel/babelconfig.h
-include/openbabel/base.h
-include/openbabel/binary.h
-include/openbabel/bitvec.h
-include/openbabel/bondtyp.h
-include/openbabel/bondtyper.h
-include/openbabel/chains.h
-include/openbabel/chiral.h
-include/openbabel/crk.h
-include/openbabel/data.h
-include/openbabel/element.h
-include/openbabel/extable.h
-include/openbabel/fileformat.h
-include/openbabel/generic.h
-include/openbabel/grid.h
-include/openbabel/isotope.h
-include/openbabel/math/matrix3x3.h
-include/openbabel/math/vector3.h
-include/openbabel/matrix.h
-include/openbabel/mol.h
-include/openbabel/molchrg.h
-include/openbabel/molvector.h
-include/openbabel/oberror.h
-include/openbabel/obifstream.h
-include/openbabel/obutil.h
-include/openbabel/parsmart.h
-include/openbabel/patty.h
-include/openbabel/phmodel.h
-include/openbabel/phmodeldata.h
-include/openbabel/resdata.h
-include/openbabel/ring.h
-include/openbabel/rotor.h
-include/openbabel/smi.h
-include/openbabel/typer.h
-include/openbabel/types.h
+include/inchi/aux2atom.h
+include/inchi/comdef.h
+include/inchi/extr_ct.h
+include/inchi/ichi.h
+include/inchi/ichi_bns.h
+include/inchi/ichicano.h
+include/inchi/ichicant.h
+include/inchi/ichicomn.h
+include/inchi/ichicomp.h
+include/inchi/ichidrp.h
+include/inchi/ichierr.h
+include/inchi/ichimain.h
+include/inchi/ichimake.h
+include/inchi/ichinorm.h
+include/inchi/ichiparm.h
+include/inchi/ichiring.h
+include/inchi/ichisize.h
+include/inchi/ichister.h
+include/inchi/ichitaut.h
+include/inchi/ichitime.h
+include/inchi/inchi_api.h
+include/inchi/inchi_dll.h
+include/inchi/inchi_dll_main.h
+include/inchi/inpdef.h
+include/inchi/lreadmol.h
+include/inchi/mode.h
+include/inchi/strutil.h
+include/inchi/util.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/bondtyper.h
+include/openbabel-2.0/openbabel/chains.h
+include/openbabel-2.0/openbabel/chiral.h
+include/openbabel-2.0/openbabel/data.h
+include/openbabel-2.0/openbabel/dlhandler.h
+include/openbabel-2.0/openbabel/fingerprint.h
+include/openbabel-2.0/openbabel/generic.h
+include/openbabel-2.0/openbabel/grid.h
+include/openbabel-2.0/openbabel/inchi_api.h
+include/openbabel-2.0/openbabel/math/matrix3x3.h
+include/openbabel-2.0/openbabel/math/vector3.h
+include/openbabel-2.0/openbabel/matrix.h
+include/openbabel-2.0/openbabel/mol.h
+include/openbabel-2.0/openbabel/molchrg.h
+include/openbabel-2.0/openbabel/obconversion.h
+include/openbabel-2.0/openbabel/oberror.h
+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/parsmart.h
+include/openbabel-2.0/openbabel/patty.h
+include/openbabel-2.0/openbabel/phmodel.h
+include/openbabel-2.0/openbabel/reaction.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/typer.h
+lib/libinchi.a
+lib/libinchi.so
+lib/libinchi.so.0
 lib/libopenbabel.a
 lib/libopenbabel.so
-lib/libopenbabel.so.0
-libdata/pkgconfig/openbabel.pc
-%%DATADIR%%/aromatic.txt
-%%DATADIR%%/atomtyp.txt
-%%DATADIR%%/bondtyp.txt
-%%DATADIR%%/element.txt
-%%DATADIR%%/extable.txt
-%%DATADIR%%/isotope-small.txt
-%%DATADIR%%/isotope.txt
-%%DATADIR%%/phmodel.txt
-%%DATADIR%%/resdata.txt
-%%DATADIR%%/types.txt
+lib/libopenbabel.so.1
+lib/openbabel/APIInterface.so
+lib/openbabel/CSRformat.so
+lib/openbabel/PQSformat.so
+lib/openbabel/alchemyformat.so
+lib/openbabel/amberformat.so
+lib/openbabel/balstformat.so
+lib/openbabel/bgfformat.so
+lib/openbabel/boxformat.so
+lib/openbabel/cacaoformat.so
+lib/openbabel/cacheformat.so
+lib/openbabel/carformat.so
+lib/openbabel/cccformat.so
+lib/openbabel/chem3dformat.so
+lib/openbabel/chemdrawformat.so
+lib/openbabel/chemtoolformat.so
+lib/openbabel/cmlreactlformat.so
+lib/openbabel/copyformat.so
+lib/openbabel/crkformat.so
+lib/openbabel/cssrformat.so
+lib/openbabel/dmolformat.so
+lib/openbabel/fastsearchformat.so
+lib/openbabel/featformat.so
+lib/openbabel/fhformat.so
+lib/openbabel/fingerprintformat.so
+lib/openbabel/freefracformat.so
+lib/openbabel/gamessformat.so
+lib/openbabel/gaussformat.so
+lib/openbabel/ghemicalformat.so
+lib/openbabel/gromos96format.so
+lib/openbabel/hinformat.so
+lib/openbabel/inchiformat.so
+lib/openbabel/jaguarformat.so
+lib/openbabel/mdlformat.so
+lib/openbabel/mmodformat.so
+lib/openbabel/mol2format.so
+lib/openbabel/mopacformat.so
+lib/openbabel/mpdformat.so
+lib/openbabel/mpqcformat.so
+lib/openbabel/nwchemformat.so
+lib/openbabel/pcmodelformat.so
+lib/openbabel/pdbformat.so
+lib/openbabel/povrayformat.so
+lib/openbabel/pubchem.so
+lib/openbabel/qchemformat.so
+lib/openbabel/reportformat.so
+lib/openbabel/rxnformat.so
+lib/openbabel/shelxformat.so
+lib/openbabel/smilesformat.so
+lib/openbabel/tinkerformat.so
+lib/openbabel/turbomoleformat.so
+lib/openbabel/unichemformat.so
+lib/openbabel/viewmolformat.so
+lib/openbabel/xcmlformat.so
+lib/openbabel/xedformat.so
+lib/openbabel/xmlformat.so
+lib/openbabel/xyzformat.so
+lib/openbabel/yasaraformat.so
+lib/openbabel/zindoformat.so
+libdata/pkgconfig/openbabel-2.0.pc
+%%DATADIR%%/%%VERSION%%/SMARTS_InteLigand.txt
+%%DATADIR%%/%%VERSION%%/aromatic.txt
+%%DATADIR%%/%%VERSION%%/atomtyp.txt
+%%DATADIR%%/%%VERSION%%/bondtyp.txt
+%%DATADIR%%/%%VERSION%%/element.txt
+%%DATADIR%%/%%VERSION%%/isotope-small.txt
+%%DATADIR%%/%%VERSION%%/isotope.txt
+%%DATADIR%%/%%VERSION%%/patterns.txt
+%%DATADIR%%/%%VERSION%%/phmodel.txt
+%%DATADIR%%/%%VERSION%%/resdata.txt
+%%DATADIR%%/%%VERSION%%/torlib.txt
+%%DATADIR%%/%%VERSION%%/types.txt
+@dirrm %%DATADIR%%/%%VERSION%%
 @dirrm %%DATADIR%%
-@dirrm include/openbabel/math
-@dirrm include/openbabel
+@dirrm lib/openbabel
+@dirrm include/openbabel-2.0/openbabel/math
+@dirrm include/openbabel-2.0/openbabel
+@dirrm include/openbabel-2.0
+@dirrm include/inchi