tb@ found that misc/openbabel has a hidden dep on math/eigen3. Diff
below addresses this. Minor of libopenbabel requires a bump because of
additions of symbols.
Tested on amd64. Run tested with x11/xdrawchem.
Comments/OK?
diff --git Makefile Makefile
index 32758c97397..21ac8b7d578 100644
--- Makefile
+++ Makefile
@@ -1,6 +1,7 @@
COMMENT= chemistry file translation program
V= 3.1.1
+REVISION= 0
DISTNAME= openbabel-${V}
CATEGORIES= misc
@@ -8,7 +9,7 @@ CATEGORIES= misc
SHARED_LIBS += coordgen 0.0 \
inchi 0.0 \
maeparser 0.0 \
- openbabel 6.0
+ openbabel 6.1
HOMEPAGE= https://openbabel.org
@@ -34,6 +35,8 @@ LIB_DEPENDS= devel/boost \
graphics/cairo \
textproc/libxml
+BUILD_DEPENDS= math/eigen3
+
CONFIGURE_ARGS= -DBUILD_GUI=OFF
SEPARATE_BUILD= No
diff --git pkg/PLIST pkg/PLIST
index d77e9e5fa81..4bf64c2796e 100644
--- pkg/PLIST
+++ pkg/PLIST
@@ -1,5 +1,6 @@
@bin bin/obabel
@bin bin/obconformer
+@bin bin/obdistgen
@bin bin/obenergy
@bin bin/obfit
@bin bin/obfitall
@@ -9,6 +10,7 @@
@bin bin/obmm
@bin bin/obprobe
@bin bin/obprop
+@bin bin/obrms
@bin bin/obrotamer
@bin bin/obrotate
@bin bin/obspectrophore
@@ -48,6 +50,12 @@ include/maeparser/MaeParserConfig.hpp
include/maeparser/Reader.hpp
include/maeparser/Writer.hpp
include/openbabel3/
+include/openbabel3/LBFGS/
+include/openbabel3/LBFGS.h
+include/openbabel3/LBFGS/LineSearchBacktracking.h
+include/openbabel3/LBFGS/LineSearchBracketing.h
+include/openbabel3/LBFGS/LineSearchNocedalWright.h
+include/openbabel3/LBFGS/Param.h
include/openbabel3/openbabel/
include/openbabel3/openbabel/alias.h
include/openbabel3/openbabel/atom.h
@@ -184,6 +192,7 @@ lib/openbabel/${V}/
@so lib/openbabel/${V}/cmlformat.so
@so lib/openbabel/${V}/cmlreactformat.so
@so lib/openbabel/${V}/cofformat.so
+@so lib/openbabel/${V}/confabreport.so
@so lib/openbabel/${V}/copyformat.so
@so lib/openbabel/${V}/crkformat.so
@so lib/openbabel/${V}/crystal09format.so
