diff options
| -rw-r--r-- | science/openbabel/Makefile | 23 | ||||
| -rw-r--r-- | science/openbabel/distinfo | 6 | ||||
| -rw-r--r-- | science/openbabel/pkg-plist | 198 |
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 |
