- Update to 2.1.0

3 files changed, 64 insertions, 16 deletions

diff --git a/science/openbabel/Makefile b/science/openbabel/Makefile
index 575fb078ee28..8e84c71b867f 100644
--- a/science/openbabel/Makefile
+++ b/science/openbabel/Makefile
@@ -7,7 +7,7 @@
 #
 
 PORTNAME=	openbabel
-PORTVERSION=	2.0.2
+PORTVERSION=	2.1.0
 CATEGORIES=	science
 MASTER_SITES=	${MASTER_SITE_SOURCEFORGE}
 MASTER_SITE_SUBDIR=	${PORTNAME}
@@ -18,6 +18,7 @@ COMMENT=	Chemistry file translation program
 USE_GCC=	3.4+
 USE_GNOME=	gnomehack gnometarget libxml2
 GNU_CONFIGURE=	yes
+CONFIGURE_ARGS=	--mandir=${PREFIX}/man
 USE_LDCONFIG=	yes
 
 MAN1=		obchiral.1 obfit.1 obgrep.1 obprop.1 obrotate.1 openbabel.1
@@ -40,8 +41,6 @@ post-patch:
 		'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' ${WRKSRC}/src/Makefile.in
+	@${REINPLACE_CMD} -e 's|babel$$(EXEEXT)|openbabel$$(EXEEXT)|g' ${WRKSRC}/tools/Makefile.in
 
 .include <bsd.port.post.mk>
diff --git a/science/openbabel/distinfo b/science/openbabel/distinfo
index e886029dbac6..f51a274acbfc 100644
--- a/science/openbabel/distinfo
+++ b/science/openbabel/distinfo
@@ -1,3 +1,3 @@
-MD5 (openbabel-2.0.2.tar.gz) = 1cb8d4a99482d2d109887a099d1a719e
-SHA256 (openbabel-2.0.2.tar.gz) = f85e600fad398df63290690e0e8d62e02d37ead941bc0d5bc8de5e44a01c7de3
-SIZE (openbabel-2.0.2.tar.gz) = 2712813
+MD5 (openbabel-2.1.0.tar.gz) = 0a227d336a81f3e62854d25acc562577
+SHA256 (openbabel-2.1.0.tar.gz) = 3cce3bad0990c59221f7b25f159096f69c87429725d479673748a36f52fa9da7
+SIZE (openbabel-2.1.0.tar.gz) = 6559619
diff --git a/science/openbabel/pkg-plist b/science/openbabel/pkg-plist
index 778b870c5c5c..d5822721056c 100644
--- a/science/openbabel/pkg-plist
+++ b/science/openbabel/pkg-plist
@@ -1,22 +1,34 @@
 bin/obchiral
+bin/obenergy
 bin/obfit
 bin/obgrep
+bin/obminimize
 bin/obprop
+bin/obrotamer
 bin/obrotate
 bin/openbabel
-include/inchi/inchi_api.h
+bin/roundtrip
+include/openbabel-2.0/openbabel/atom.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/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/dlhandler.h
+include/openbabel-2.0/openbabel/forcefield.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/groupcontrib.h
 include/openbabel-2.0/openbabel/inchi_api.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/math/matrix3x3.h
 include/openbabel-2.0/openbabel/math/vector3.h
 include/openbabel-2.0/openbabel/matrix.h
@@ -30,11 +42,15 @@ 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/pluginiter.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/typer.h
+include/openbabel-2.0/openbabel/xml.h
 lib/libinchi.a
 lib/libinchi.la
 lib/libinchi.so
@@ -42,7 +58,7 @@ lib/libinchi.so.0
 lib/libopenbabel.a
 lib/libopenbabel.la
 lib/libopenbabel.so
-lib/libopenbabel.so.1
+lib/libopenbabel.so.3
 lib/openbabel/APIInterface.a
 lib/openbabel/APIInterface.la
 lib/openbabel/APIInterface.so
@@ -52,6 +68,9 @@ 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
@@ -76,18 +95,33 @@ lib/openbabel/cacheformat.so
 lib/openbabel/carformat.a
 lib/openbabel/carformat.la
 lib/openbabel/carformat.so
+lib/openbabel/cansmilesformat.a
+lib/openbabel/cansmilesformat.la
+lib/openbabel/cansmilesformat.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/chemdrawformat.a
-lib/openbabel/chemdrawformat.la
-lib/openbabel/chemdrawformat.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
@@ -103,9 +137,15 @@ 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
@@ -148,6 +188,9 @@ 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
@@ -187,9 +230,15 @@ 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
@@ -199,9 +248,6 @@ lib/openbabel/unichemformat.so
 lib/openbabel/viewmolformat.a
 lib/openbabel/viewmolformat.la
 lib/openbabel/viewmolformat.so
-lib/openbabel/xcmlformat.a
-lib/openbabel/xcmlformat.la
-lib/openbabel/xcmlformat.so
 lib/openbabel/xedformat.a
 lib/openbabel/xedformat.la
 lib/openbabel/xedformat.so
@@ -223,10 +269,14 @@ libdata/pkgconfig/openbabel-2.0.pc
 %%DATADIR%%/%%VERSION%%/atomtyp.txt
 %%DATADIR%%/%%VERSION%%/bondtyp.txt
 %%DATADIR%%/%%VERSION%%/element.txt
+%%DATADIR%%/%%VERSION%%/ghemical.prm
 %%DATADIR%%/%%VERSION%%/isotope-small.txt
 %%DATADIR%%/%%VERSION%%/isotope.txt
+%%DATADIR%%/%%VERSION%%/logp.txt
+%%DATADIR%%/%%VERSION%%/mr.txt
 %%DATADIR%%/%%VERSION%%/patterns.txt
 %%DATADIR%%/%%VERSION%%/phmodel.txt
+%%DATADIR%%/%%VERSION%%/psa.txt
 %%DATADIR%%/%%VERSION%%/resdata.txt
 %%DATADIR%%/%%VERSION%%/torlib.txt
 %%DATADIR%%/%%VERSION%%/types.txt
@@ -236,4 +286,3 @@ libdata/pkgconfig/openbabel-2.0.pc
 @dirrm include/openbabel-2.0/openbabel/math
 @dirrm include/openbabel-2.0/openbabel
 @dirrm include/openbabel-2.0
-@dirrm include/inchi