diff --git a/science/openbabel/Makefile b/science/openbabel/Makefile index 4e18279f64ee..9907494431c4 100644 --- a/science/openbabel/Makefile +++ b/science/openbabel/Makefile @@ -1,65 +1,63 @@ PORTNAME= openbabel DISTVERSION= 3.1.1 -PORTREVISION= 6 +PORTREVISION= 7 DISTVERSIONSUFFIX= -source CATEGORIES= science MASTER_SITES= https://github.com/openbabel/openbabel/releases/download/openbabel-${PORTVERSION:C/\./-/g}/ MAINTAINER= yuri@FreeBSD.org COMMENT= Chemical toolbox designed to speak the many languages of chemical data WWW= https://openbabel.org/wiki/Main_Page LICENSE= GPLv2+ BUILD_DEPENDS= rapidjson>0:devel/rapidjson LIB_DEPENDS= libmaeparser.so:science/maeparser \ libcoordgen.so:science/coordgenlibs \ libboost_thread.so:devel/boost-libs CONFLICTS_INSTALL= babel USES= cmake compiler:c++11-lang eigen:3 gnome pkgconfig tar:bz2 USE_CXXSTD= gnu++98 USE_GNOME= libxml2 USE_LDCONFIG= yes CMAKE_ON= WITH_COORDGEN WITH_JSON OPENBABEL_USE_SYSTEM_RAPIDJSON WITH_MAEPARSER +CMAKE_OFF= PYTHON_BINDINGS WRKSRC= ${WRKDIR}/${PORTNAME}-${PORTVERSION} PLIST_SUB= VERSION=3.1.0 # To be replaced by ${PORTVERSION} nexttime! -OPTIONS_DEFINE= CAIRO PYTHON GUI -OPTIONS_DEFAULT= CAIRO PYTHON GUI +OPTIONS_DEFINE= CAIRO GUI +OPTIONS_DEFAULT= CAIRO GUI OPTIONS_SUB= yes CAIRO_DESC= PNG support via cairo library CAIRO_USE= GNOME=cairo -PYTHON_USES= python -PYTHON_CMAKE_BOOL= PYTHON_BINDINGS - GUI_CMAKE_BOOL= BUILD_GUI GUI_CMAKE_ON= -DwxWidgets_CONFIG_EXECUTABLE:STRING=${WX_CONFIG} GUI_USE= WX=3.0 .include .if ${CHOSEN_COMPILER_TYPE} == gcc CXXFLAGS+= -Wno-narrowing USE_CXXSTD= c++11 .endif pre-configure: ${REINPLACE_CMD} -e '/pkgconfig/s,$${LIB_INSTALL_DIR},libdata,' \ ${WRKSRC}/CMakeLists.txt pre-configure-CAIRO-off: ${REINPLACE_CMD} -e '/find_package(Cairo)/d' \ ${WRKSRC}/CMakeLists.txt post-install-PYTHON-on: (cd ${STAGEDIR}${PREFIX} && ${PYTHON_CMD} ${PYTHON_LIBDIR}/compileall.py \ -d ${PREFIX} -f ${PYTHONPREFIX_SITELIBDIR:S,${PREFIX}/,,}) (cd ${STAGEDIR}${PREFIX} && ${PYTHON_CMD} -O ${PYTHON_LIBDIR}/compileall.py \ -d ${PREFIX} -f ${PYTHONPREFIX_SITELIBDIR:S,${PREFIX}/,,}) .include diff --git a/science/openbabel/pkg-plist b/science/openbabel/pkg-plist index 517c8727faf4..842287b2472e 100644 --- a/science/openbabel/pkg-plist +++ b/science/openbabel/pkg-plist @@ -1,335 +1,325 @@ bin/obabel bin/obconformer bin/obdistgen bin/obenergy bin/obfit bin/obfitall bin/obgen bin/obgrep %%GUI%%bin/obgui bin/obminimize bin/obmm bin/obprobe bin/obprop bin/obrms bin/obrotamer bin/obrotate bin/obspectrophore bin/obsym bin/obtautomer bin/obthermo bin/roundtrip include/inchi/inchi_api.h 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/alias.h include/openbabel3/openbabel/atom.h include/openbabel3/openbabel/babelconfig.h include/openbabel3/openbabel/base.h include/openbabel3/openbabel/bitvec.h include/openbabel3/openbabel/bond.h include/openbabel3/openbabel/bondtyper.h include/openbabel3/openbabel/builder.h include/openbabel3/openbabel/canon.h include/openbabel3/openbabel/chains.h include/openbabel3/openbabel/chargemodel.h include/openbabel3/openbabel/chemdrawcdx.h include/openbabel3/openbabel/conformersearch.h include/openbabel3/openbabel/data.h include/openbabel3/openbabel/data_utilities.h include/openbabel3/openbabel/depict/asciipainter.h include/openbabel3/openbabel/depict/cairopainter.h include/openbabel3/openbabel/depict/commandpainter.h include/openbabel3/openbabel/depict/depict.h include/openbabel3/openbabel/depict/painter.h include/openbabel3/openbabel/depict/svgpainter.h include/openbabel3/openbabel/descriptor.h include/openbabel3/openbabel/distgeom.h include/openbabel3/openbabel/dlhandler.h include/openbabel3/openbabel/elements.h include/openbabel3/openbabel/fingerprint.h include/openbabel3/openbabel/forcefield.h include/openbabel3/openbabel/format.h include/openbabel3/openbabel/generic.h include/openbabel3/openbabel/graphsym.h include/openbabel3/openbabel/grid.h include/openbabel3/openbabel/griddata.h include/openbabel3/openbabel/groupcontrib.h include/openbabel3/openbabel/inchiformat.h include/openbabel3/openbabel/internalcoord.h include/openbabel3/openbabel/isomorphism.h include/openbabel3/openbabel/json.h include/openbabel3/openbabel/kekulize.h include/openbabel3/openbabel/kinetics.h include/openbabel3/openbabel/lineend.h include/openbabel3/openbabel/locale.h include/openbabel3/openbabel/math/align.h include/openbabel3/openbabel/math/erf.h include/openbabel3/openbabel/math/matrix3x3.h include/openbabel3/openbabel/math/spacegroup.h include/openbabel3/openbabel/math/transform3d.h include/openbabel3/openbabel/math/vector3.h include/openbabel3/openbabel/matrix.h include/openbabel3/openbabel/mcdlutil.h include/openbabel3/openbabel/mol.h include/openbabel3/openbabel/molchrg.h include/openbabel3/openbabel/obconversion.h include/openbabel3/openbabel/oberror.h include/openbabel3/openbabel/obfunctions.h include/openbabel3/openbabel/obiter.h include/openbabel3/openbabel/obmolecformat.h include/openbabel3/openbabel/obutil.h include/openbabel3/openbabel/op.h include/openbabel3/openbabel/optransform.h include/openbabel3/openbabel/parsmart.h include/openbabel3/openbabel/patty.h include/openbabel3/openbabel/phmodel.h include/openbabel3/openbabel/plugin.h include/openbabel3/openbabel/pointgroup.h include/openbabel3/openbabel/query.h include/openbabel3/openbabel/reaction.h include/openbabel3/openbabel/reactionfacade.h include/openbabel3/openbabel/residue.h include/openbabel3/openbabel/ring.h include/openbabel3/openbabel/rotamer.h include/openbabel3/openbabel/rotor.h include/openbabel3/openbabel/shared_ptr.h include/openbabel3/openbabel/spectrophore.h include/openbabel3/openbabel/stereo/bindings.h include/openbabel3/openbabel/stereo/cistrans.h include/openbabel3/openbabel/stereo/squareplanar.h include/openbabel3/openbabel/stereo/stereo.h include/openbabel3/openbabel/stereo/tetrahedral.h include/openbabel3/openbabel/stereo/tetranonplanar.h include/openbabel3/openbabel/stereo/tetraplanar.h include/openbabel3/openbabel/tautomer.h include/openbabel3/openbabel/text.h include/openbabel3/openbabel/tokenst.h include/openbabel3/openbabel/typer.h include/openbabel3/openbabel/xml.h lib/cmake/openbabel3/OpenBabel3Config.cmake lib/cmake/openbabel3/OpenBabel3ConfigVersion.cmake lib/cmake/openbabel3/OpenBabel3_EXPORTS-%%CMAKE_BUILD_TYPE%%.cmake lib/cmake/openbabel3/OpenBabel3_EXPORTS.cmake lib/libinchi.so lib/libinchi.so.0 lib/libinchi.so.0.4.1 lib/libopenbabel.so lib/libopenbabel.so.7 lib/libopenbabel.so.7.0.0 lib/openbabel/%%VERSION%%/APIInterface.so lib/openbabel/%%VERSION%%/CSRformat.so lib/openbabel/%%VERSION%%/MCDLformat.so lib/openbabel/%%VERSION%%/MNAformat.so lib/openbabel/%%VERSION%%/PQSformat.so lib/openbabel/%%VERSION%%/abinitformat.so lib/openbabel/%%VERSION%%/acesformat.so lib/openbabel/%%VERSION%%/acrformat.so lib/openbabel/%%VERSION%%/adfformat.so lib/openbabel/%%VERSION%%/alchemyformat.so lib/openbabel/%%VERSION%%/amberformat.so lib/openbabel/%%VERSION%%/aoforceformat.so lib/openbabel/%%VERSION%%/asciiformat.so lib/openbabel/%%VERSION%%/balstformat.so lib/openbabel/%%VERSION%%/bgfformat.so lib/openbabel/%%VERSION%%/boxformat.so lib/openbabel/%%VERSION%%/cacaoformat.so lib/openbabel/%%VERSION%%/cacheformat.so lib/openbabel/%%VERSION%%/carformat.so lib/openbabel/%%VERSION%%/castepformat.so lib/openbabel/%%VERSION%%/cccformat.so lib/openbabel/%%VERSION%%/cdxmlformat.so lib/openbabel/%%VERSION%%/chem3dformat.so lib/openbabel/%%VERSION%%/chemdoodlejsonformat.so lib/openbabel/%%VERSION%%/chemdrawcdx.so lib/openbabel/%%VERSION%%/chemdrawct.so lib/openbabel/%%VERSION%%/chemkinformat.so lib/openbabel/%%VERSION%%/chemtoolformat.so lib/openbabel/%%VERSION%%/cifformat.so lib/openbabel/%%VERSION%%/cmlformat.so lib/openbabel/%%VERSION%%/cmlreactformat.so lib/openbabel/%%VERSION%%/cofformat.so lib/openbabel/%%VERSION%%/confabreport.so lib/openbabel/%%VERSION%%/copyformat.so lib/openbabel/%%VERSION%%/crkformat.so lib/openbabel/%%VERSION%%/crystal09format.so lib/openbabel/%%VERSION%%/cssrformat.so lib/openbabel/%%VERSION%%/daltonformat.so lib/openbabel/%%VERSION%%/dlpolyformat.so lib/openbabel/%%VERSION%%/dmolformat.so lib/openbabel/%%VERSION%%/exyzformat.so lib/openbabel/%%VERSION%%/fastaformat.so lib/openbabel/%%VERSION%%/fastsearchformat.so lib/openbabel/%%VERSION%%/fchkformat.so lib/openbabel/%%VERSION%%/featformat.so lib/openbabel/%%VERSION%%/fhformat.so lib/openbabel/%%VERSION%%/fhiaimsformat.so lib/openbabel/%%VERSION%%/fingerprintformat.so lib/openbabel/%%VERSION%%/fpsformat.so lib/openbabel/%%VERSION%%/freefracformat.so lib/openbabel/%%VERSION%%/gamessformat.so lib/openbabel/%%VERSION%%/gamessukformat.so lib/openbabel/%%VERSION%%/gausscubeformat.so lib/openbabel/%%VERSION%%/gaussformat.so lib/openbabel/%%VERSION%%/gausszmatformat.so lib/openbabel/%%VERSION%%/ghemicalformat.so lib/openbabel/%%VERSION%%/groformat.so lib/openbabel/%%VERSION%%/gromos96format.so lib/openbabel/%%VERSION%%/gulpformat.so lib/openbabel/%%VERSION%%/hinformat.so lib/openbabel/%%VERSION%%/inchiformat.so lib/openbabel/%%VERSION%%/jaguarformat.so lib/openbabel/%%VERSION%%/lmpdatformat.so lib/openbabel/%%VERSION%%/lpmdformat.so lib/openbabel/%%VERSION%%/maeformat.so lib/openbabel/%%VERSION%%/mdffformat.so lib/openbabel/%%VERSION%%/mdlformat.so lib/openbabel/%%VERSION%%/mmcifformat.so lib/openbabel/%%VERSION%%/mmodformat.so lib/openbabel/%%VERSION%%/mol2format.so lib/openbabel/%%VERSION%%/moldenformat.so lib/openbabel/%%VERSION%%/molproformat.so lib/openbabel/%%VERSION%%/molreport.so lib/openbabel/%%VERSION%%/mopacformat.so lib/openbabel/%%VERSION%%/mpdformat.so lib/openbabel/%%VERSION%%/mpqcformat.so lib/openbabel/%%VERSION%%/msiformat.so lib/openbabel/%%VERSION%%/msmsformat.so lib/openbabel/%%VERSION%%/nulformat.so lib/openbabel/%%VERSION%%/nwchemformat.so lib/openbabel/%%VERSION%%/opendxformat.so lib/openbabel/%%VERSION%%/orcaformat.so lib/openbabel/%%VERSION%%/outformat.so lib/openbabel/%%VERSION%%/painterformat.so lib/openbabel/%%VERSION%%/pcmodelformat.so lib/openbabel/%%VERSION%%/pdbformat.so lib/openbabel/%%VERSION%%/pdbqtformat.so lib/openbabel/%%VERSION%%/plugin_charges.so lib/openbabel/%%VERSION%%/plugin_descriptors.so lib/openbabel/%%VERSION%%/plugin_fingerprints.so lib/openbabel/%%VERSION%%/plugin_forcefields.so lib/openbabel/%%VERSION%%/plugin_ops.so %%CAIRO%%lib/openbabel/%%VERSION%%/png2format.so lib/openbabel/%%VERSION%%/pngformat.so lib/openbabel/%%VERSION%%/pointcloudformat.so lib/openbabel/%%VERSION%%/posformat.so lib/openbabel/%%VERSION%%/povrayformat.so lib/openbabel/%%VERSION%%/pqrformat.so lib/openbabel/%%VERSION%%/pubchem.so lib/openbabel/%%VERSION%%/pubchemjsonformat.so lib/openbabel/%%VERSION%%/pwscfformat.so lib/openbabel/%%VERSION%%/qchemformat.so lib/openbabel/%%VERSION%%/reportformat.so lib/openbabel/%%VERSION%%/rinchiformat.so lib/openbabel/%%VERSION%%/rsmiformat.so lib/openbabel/%%VERSION%%/rxnformat.so lib/openbabel/%%VERSION%%/shelxformat.so lib/openbabel/%%VERSION%%/siestaformat.so lib/openbabel/%%VERSION%%/smilesformat.so lib/openbabel/%%VERSION%%/smileyformat.so lib/openbabel/%%VERSION%%/stlformat.so lib/openbabel/%%VERSION%%/svgformat.so lib/openbabel/%%VERSION%%/textformat.so lib/openbabel/%%VERSION%%/thermoformat.so lib/openbabel/%%VERSION%%/tinkerformat.so lib/openbabel/%%VERSION%%/titleformat.so lib/openbabel/%%VERSION%%/turbomoleformat.so lib/openbabel/%%VERSION%%/unichemformat.so lib/openbabel/%%VERSION%%/vaspformat.so lib/openbabel/%%VERSION%%/viewmolformat.so lib/openbabel/%%VERSION%%/wlnformat.so lib/openbabel/%%VERSION%%/xedformat.so lib/openbabel/%%VERSION%%/xmlformat.so lib/openbabel/%%VERSION%%/xsfformat.so lib/openbabel/%%VERSION%%/xyzformat.so lib/openbabel/%%VERSION%%/yasaraformat.so lib/openbabel/%%VERSION%%/zindoformat.so -%%PYTHON%%%%PYTHON_SITELIBDIR%%/openbabel/__init__.py -%%PYTHON%%%%PYTHON_SITELIBDIR%%/openbabel/__pycache__/__init__.cpython-%%PYTHON_SUFFIX%%.opt-1.pyc -%%PYTHON%%%%PYTHON_SITELIBDIR%%/openbabel/__pycache__/__init__.cpython-%%PYTHON_SUFFIX%%.pyc -%%PYTHON%%%%PYTHON_SITELIBDIR%%/openbabel/__pycache__/openbabel.cpython-%%PYTHON_SUFFIX%%.opt-1.pyc -%%PYTHON%%%%PYTHON_SITELIBDIR%%/openbabel/__pycache__/openbabel.cpython-%%PYTHON_SUFFIX%%.pyc -%%PYTHON%%%%PYTHON_SITELIBDIR%%/openbabel/__pycache__/pybel.cpython-%%PYTHON_SUFFIX%%.opt-1.pyc -%%PYTHON%%%%PYTHON_SITELIBDIR%%/openbabel/__pycache__/pybel.cpython-%%PYTHON_SUFFIX%%.pyc -%%PYTHON%%%%PYTHON_SITELIBDIR%%/openbabel/_openbabel.so -%%PYTHON%%%%PYTHON_SITELIBDIR%%/openbabel/openbabel.py -%%PYTHON%%%%PYTHON_SITELIBDIR%%/openbabel/pybel.py libdata/pkgconfig/openbabel-3.pc share/man/man1/obabel.1.gz share/man/man1/obchiral.1.gz share/man/man1/obconformer.1.gz share/man/man1/obdistgen.1.gz share/man/man1/obenergy.1.gz share/man/man1/obfit.1.gz share/man/man1/obgen.1.gz share/man/man1/obgrep.1.gz share/man/man1/obgui.1.gz share/man/man1/obminimize.1.gz share/man/man1/obprobe.1.gz share/man/man1/obprop.1.gz share/man/man1/obrms.1.gz share/man/man1/obrotamer.1.gz share/man/man1/obrotate.1.gz share/man/man1/obspectrophore.1.gz share/man/man1/obsym.1.gz share/man/man1/obtautomer.1.gz share/man/man1/obthermo.1.gz share/man/man1/roundtrip.1.gz %%DATADIR%%/%%VERSION%%/MACCS.txt %%DATADIR%%/%%VERSION%%/SMARTS_InteLigand.txt %%DATADIR%%/%%VERSION%%/UFF.prm %%DATADIR%%/%%VERSION%%/atomization-energies.txt %%DATADIR%%/%%VERSION%%/atomtyp.txt %%DATADIR%%/%%VERSION%%/babel_povray3.inc %%DATADIR%%/%%VERSION%%/bondtyp.txt %%DATADIR%%/%%VERSION%%/eem.txt %%DATADIR%%/%%VERSION%%/eem2015ba.txt %%DATADIR%%/%%VERSION%%/eem2015bm.txt %%DATADIR%%/%%VERSION%%/eem2015bn.txt %%DATADIR%%/%%VERSION%%/eem2015ha.txt %%DATADIR%%/%%VERSION%%/eem2015hm.txt %%DATADIR%%/%%VERSION%%/eem2015hn.txt %%DATADIR%%/%%VERSION%%/eqeqIonizations.txt %%DATADIR%%/%%VERSION%%/gaff.dat %%DATADIR%%/%%VERSION%%/gaff.prm %%DATADIR%%/%%VERSION%%/ghemical.prm %%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%%/mpC.txt %%DATADIR%%/%%VERSION%%/mr.txt %%DATADIR%%/%%VERSION%%/patterns.txt %%DATADIR%%/%%VERSION%%/phmodel.txt %%DATADIR%%/%%VERSION%%/plugindefines.txt %%DATADIR%%/%%VERSION%%/psa.txt %%DATADIR%%/%%VERSION%%/qeq.txt %%DATADIR%%/%%VERSION%%/resdata.txt %%DATADIR%%/%%VERSION%%/rigid-fragments-index.txt %%DATADIR%%/%%VERSION%%/rigid-fragments.txt %%DATADIR%%/%%VERSION%%/ring-fragments.txt %%DATADIR%%/%%VERSION%%/ringtyp.txt %%DATADIR%%/%%VERSION%%/space-groups.txt %%DATADIR%%/%%VERSION%%/splash.png %%DATADIR%%/%%VERSION%%/superatom.txt %%DATADIR%%/%%VERSION%%/svgformat.script %%DATADIR%%/%%VERSION%%/templates.sdf %%DATADIR%%/%%VERSION%%/torlib.txt %%DATADIR%%/%%VERSION%%/torsion.txt %%DATADIR%%/%%VERSION%%/types.txt