diff options
-rw-r--r-- | biology/openbabel/DESCR | 5 | ||||
-rw-r--r-- | biology/openbabel/Makefile | 24 | ||||
-rw-r--r-- | biology/openbabel/PLIST | 257 | ||||
-rw-r--r-- | biology/openbabel/buildlink3.mk | 16 | ||||
-rw-r--r-- | biology/openbabel/distinfo | 6 | ||||
-rw-r--r-- | biology/openbabel/options.mk | 17 | ||||
-rw-r--r-- | biology/openbabel/patches/patch-doc_CMakeLists.txt | 13 |
7 files changed, 338 insertions, 0 deletions
diff --git a/biology/openbabel/DESCR b/biology/openbabel/DESCR new file mode 100644 index 00000000000..c725709a987 --- /dev/null +++ b/biology/openbabel/DESCR @@ -0,0 +1,5 @@ +Open Babel is a chemical toolbox designed to speak the many languages +of chemical data. It's an open, collaborative project allowing +anyone to search, convert, analyze, or store data from molecular +modeling, chemistry, solid-state materials, biochemistry, or related +areas. diff --git a/biology/openbabel/Makefile b/biology/openbabel/Makefile new file mode 100644 index 00000000000..3a861d4829f --- /dev/null +++ b/biology/openbabel/Makefile @@ -0,0 +1,24 @@ +# $NetBSD: Makefile,v 1.1.1.1 2011/10/05 22:15:48 ryoon Exp $ +# + +DISTNAME= openbabel-2.3.0 +CATEGORIES= biology +MASTER_SITES= ${MASTER_SITE_SOURCEFORGE:=openbabel/} + +MAINTAINER= oivulf@gmail.com +HOMEPAGE= http://openbabel.org/ +COMMENT= Chemistry file translation program +LICENSE= gnu-gpl-v2 + +PKG_DESTDIR_SUPPORT= user-destdir + +USE_LANGUAGES= c c++ + +USE_CMAKE= yes + +.include "options.mk" + +.include "../../devel/zlib/buildlink3.mk" +.include "../../math/eigen2/buildlink3.mk" +.include "../../textproc/libxml2/buildlink3.mk" +.include "../../mk/bsd.pkg.mk" diff --git a/biology/openbabel/PLIST b/biology/openbabel/PLIST new file mode 100644 index 00000000000..176ea911214 --- /dev/null +++ b/biology/openbabel/PLIST @@ -0,0 +1,257 @@ +@comment $NetBSD: PLIST,v 1.1.1.1 2011/10/05 22:15:49 ryoon Exp $ +${PLIST.wx-gui}bin/OBGUI +bin/babel +bin/obabel +bin/obchiral +bin/obconformer +bin/obenergy +bin/obfit +bin/obgen +bin/obgrep +bin/obminimize +bin/obprobe +bin/obprop +bin/obrotamer +bin/obrotate +bin/obspectrophore +bin/roundtrip +include/inchi/inchi_api.h +include/openbabel-2.0/openbabel/alias.h +include/openbabel-2.0/openbabel/atom.h +include/openbabel-2.0/openbabel/atomclass.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/builder.h +include/openbabel-2.0/openbabel/canon.h +include/openbabel-2.0/openbabel/chains.h +include/openbabel-2.0/openbabel/chargemodel.h +include/openbabel-2.0/openbabel/chemdrawcdx.h +include/openbabel-2.0/openbabel/chiral.h +include/openbabel-2.0/openbabel/conformersearch.h +include/openbabel-2.0/openbabel/data.h +include/openbabel-2.0/openbabel/descriptor.h +include/openbabel-2.0/openbabel/dlhandler.h +include/openbabel-2.0/openbabel/fingerprint.h +include/openbabel-2.0/openbabel/forcefield.h +include/openbabel-2.0/openbabel/format.h +include/openbabel-2.0/openbabel/generic.h +include/openbabel-2.0/openbabel/graphsym.h +include/openbabel-2.0/openbabel/grid.h +include/openbabel-2.0/openbabel/griddata.h +include/openbabel-2.0/openbabel/groupcontrib.h +include/openbabel-2.0/openbabel/inchiformat.h +include/openbabel-2.0/openbabel/internalcoord.h +include/openbabel-2.0/openbabel/isomorphism.h +include/openbabel-2.0/openbabel/kinetics.h +include/openbabel-2.0/openbabel/lineend.h +include/openbabel-2.0/openbabel/locale.h +include/openbabel-2.0/openbabel/math/align.h +include/openbabel-2.0/openbabel/math/erf.h +include/openbabel-2.0/openbabel/math/matrix3x3.h +include/openbabel-2.0/openbabel/math/spacegroup.h +include/openbabel-2.0/openbabel/math/transform3d.h +include/openbabel-2.0/openbabel/math/vector3.h +include/openbabel-2.0/openbabel/matrix.h +include/openbabel-2.0/openbabel/mcdlutil.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/op.h +include/openbabel-2.0/openbabel/optransform.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/plugin.h +include/openbabel-2.0/openbabel/pointgroup.h +include/openbabel-2.0/openbabel/query.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/shared_ptr.h +include/openbabel-2.0/openbabel/spectrophore.h +include/openbabel-2.0/openbabel/stereo/cistrans.h +include/openbabel-2.0/openbabel/stereo/squareplanar.h +include/openbabel-2.0/openbabel/stereo/stereo.h +include/openbabel-2.0/openbabel/stereo/tetrahedral.h +include/openbabel-2.0/openbabel/stereo/tetranonplanar.h +include/openbabel-2.0/openbabel/stereo/tetraplanar.h +include/openbabel-2.0/openbabel/text.h +include/openbabel-2.0/openbabel/tokenst.h +include/openbabel-2.0/openbabel/typer.h +include/openbabel-2.0/openbabel/xml.h +lib/libinchi.so +lib/libinchi.so.0 +lib/libinchi.so.0.3.1 +lib/libopenbabel.so +lib/libopenbabel.so.4 +lib/libopenbabel.so.4.0.0 +lib/openbabel/${PKGVERSION}/APIInterface.so +lib/openbabel/${PKGVERSION}/CSRformat.so +lib/openbabel/${PKGVERSION}/MCDLformat.so +lib/openbabel/${PKGVERSION}/MNAformat.so +lib/openbabel/${PKGVERSION}/PQSformat.so +lib/openbabel/${PKGVERSION}/acrformat.so +lib/openbabel/${PKGVERSION}/adfformat.so +lib/openbabel/${PKGVERSION}/alchemyformat.so +lib/openbabel/${PKGVERSION}/amberformat.so +lib/openbabel/${PKGVERSION}/balstformat.so +lib/openbabel/${PKGVERSION}/bgfformat.so +lib/openbabel/${PKGVERSION}/boxformat.so +lib/openbabel/${PKGVERSION}/cacaoformat.so +lib/openbabel/${PKGVERSION}/cacheformat.so +lib/openbabel/${PKGVERSION}/carformat.so +lib/openbabel/${PKGVERSION}/castepformat.so +lib/openbabel/${PKGVERSION}/cccformat.so +lib/openbabel/${PKGVERSION}/cdxmlformat.so +lib/openbabel/${PKGVERSION}/chem3dformat.so +lib/openbabel/${PKGVERSION}/chemdrawcdx.so +lib/openbabel/${PKGVERSION}/chemdrawct.so +lib/openbabel/${PKGVERSION}/chemkinformat.so +lib/openbabel/${PKGVERSION}/chemtoolformat.so +lib/openbabel/${PKGVERSION}/cifformat.so +lib/openbabel/${PKGVERSION}/cmlformat.so +lib/openbabel/${PKGVERSION}/cmlreactformat.so +lib/openbabel/${PKGVERSION}/copyformat.so +lib/openbabel/${PKGVERSION}/crkformat.so +lib/openbabel/${PKGVERSION}/cssrformat.so +lib/openbabel/${PKGVERSION}/dlpolyformat.so +lib/openbabel/${PKGVERSION}/dmolformat.so +lib/openbabel/${PKGVERSION}/fastaformat.so +lib/openbabel/${PKGVERSION}/fastsearchformat.so +lib/openbabel/${PKGVERSION}/fchkformat.so +lib/openbabel/${PKGVERSION}/featformat.so +lib/openbabel/${PKGVERSION}/fhformat.so +lib/openbabel/${PKGVERSION}/fhiaimsformat.so +lib/openbabel/${PKGVERSION}/fingerprintformat.so +lib/openbabel/${PKGVERSION}/freefracformat.so +lib/openbabel/${PKGVERSION}/gamessformat.so +lib/openbabel/${PKGVERSION}/gamessukformat.so +lib/openbabel/${PKGVERSION}/gausscubeformat.so +lib/openbabel/${PKGVERSION}/gaussformat.so +lib/openbabel/${PKGVERSION}/gausszmatformat.so +lib/openbabel/${PKGVERSION}/ghemicalformat.so +lib/openbabel/${PKGVERSION}/gromos96format.so +lib/openbabel/${PKGVERSION}/gulpformat.so +lib/openbabel/${PKGVERSION}/hinformat.so +lib/openbabel/${PKGVERSION}/inchiformat.so +lib/openbabel/${PKGVERSION}/jaguarformat.so +lib/openbabel/${PKGVERSION}/mdlformat.so +lib/openbabel/${PKGVERSION}/mmcifformat.so +lib/openbabel/${PKGVERSION}/mmodformat.so +lib/openbabel/${PKGVERSION}/mol2format.so +lib/openbabel/${PKGVERSION}/moldenformat.so +lib/openbabel/${PKGVERSION}/molproformat.so +lib/openbabel/${PKGVERSION}/molreport.so +lib/openbabel/${PKGVERSION}/mopacformat.so +lib/openbabel/${PKGVERSION}/mpdformat.so +lib/openbabel/${PKGVERSION}/mpqcformat.so +lib/openbabel/${PKGVERSION}/msiformat.so +lib/openbabel/${PKGVERSION}/msmsformat.so +lib/openbabel/${PKGVERSION}/nulformat.so +lib/openbabel/${PKGVERSION}/nwchemformat.so +lib/openbabel/${PKGVERSION}/opendxformat.so +lib/openbabel/${PKGVERSION}/outformat.so +lib/openbabel/${PKGVERSION}/pcmodelformat.so +lib/openbabel/${PKGVERSION}/pdbformat.so +lib/openbabel/${PKGVERSION}/pdbqtformat.so +lib/openbabel/${PKGVERSION}/plugin_charges.so +lib/openbabel/${PKGVERSION}/plugin_descriptors.so +lib/openbabel/${PKGVERSION}/plugin_fingerprints.so +lib/openbabel/${PKGVERSION}/plugin_forcefields.so +lib/openbabel/${PKGVERSION}/plugin_ops.so +lib/openbabel/${PKGVERSION}/pngformat.so +lib/openbabel/${PKGVERSION}/povrayformat.so +lib/openbabel/${PKGVERSION}/pqrformat.so +lib/openbabel/${PKGVERSION}/pubchem.so +lib/openbabel/${PKGVERSION}/pwscfformat.so +lib/openbabel/${PKGVERSION}/qchemformat.so +lib/openbabel/${PKGVERSION}/reportformat.so +lib/openbabel/${PKGVERSION}/rsmiformat.so +lib/openbabel/${PKGVERSION}/rxnformat.so +lib/openbabel/${PKGVERSION}/shelxformat.so +lib/openbabel/${PKGVERSION}/smilesformat.so +lib/openbabel/${PKGVERSION}/svgformat.so +lib/openbabel/${PKGVERSION}/textformat.so +lib/openbabel/${PKGVERSION}/thermoformat.so +lib/openbabel/${PKGVERSION}/tinkerformat.so +lib/openbabel/${PKGVERSION}/titleformat.so +lib/openbabel/${PKGVERSION}/turbomoleformat.so +lib/openbabel/${PKGVERSION}/unichemformat.so +lib/openbabel/${PKGVERSION}/vaspformat.so +lib/openbabel/${PKGVERSION}/viewmolformat.so +lib/openbabel/${PKGVERSION}/xedformat.so +lib/openbabel/${PKGVERSION}/xmlformat.so +lib/openbabel/${PKGVERSION}/xyzformat.so +lib/openbabel/${PKGVERSION}/yasaraformat.so +lib/openbabel/${PKGVERSION}/zindoformat.so +lib/openbabel/OpenBabel2Config.cmake +lib/openbabel/OpenBabel2ConfigVersion.cmake +lib/openbabel/OpenBabel2_EXPORTS-relwithdebinfo.cmake +lib/openbabel/OpenBabel2_EXPORTS.cmake +lib/pkgconfig/openbabel-2.0.pc +man/man1/babel.1 +man/man1/obchiral.1 +man/man1/obconformer.1 +man/man1/obenergy.1 +man/man1/obfit.1 +man/man1/obgen.1 +man/man1/obgrep.1 +man/man1/obminimize.1 +man/man1/obprobe.1 +man/man1/obprop.1 +man/man1/obrotamer.1 +man/man1/obrotate.1 +man/man1/roundtrip.1 +share/openbabel/${PKGVERSION}/MACCS.txt +share/openbabel/${PKGVERSION}/SMARTS_InteLigand.txt +share/openbabel/${PKGVERSION}/UFF.prm +share/openbabel/${PKGVERSION}/aromatic.txt +share/openbabel/${PKGVERSION}/atomtyp.txt +share/openbabel/${PKGVERSION}/bondtyp.txt +share/openbabel/${PKGVERSION}/element.txt +share/openbabel/${PKGVERSION}/fragments.txt +share/openbabel/${PKGVERSION}/gaff.dat +share/openbabel/${PKGVERSION}/gaff.prm +share/openbabel/${PKGVERSION}/ghemical.prm +share/openbabel/${PKGVERSION}/isotope-small.txt +share/openbabel/${PKGVERSION}/isotope.txt +share/openbabel/${PKGVERSION}/logp.txt +share/openbabel/${PKGVERSION}/mmff94.ff +share/openbabel/${PKGVERSION}/mmff94s.ff +share/openbabel/${PKGVERSION}/mmffang.par +share/openbabel/${PKGVERSION}/mmffbndk.par +share/openbabel/${PKGVERSION}/mmffbond.par +share/openbabel/${PKGVERSION}/mmffchg.par +share/openbabel/${PKGVERSION}/mmffdef.par +share/openbabel/${PKGVERSION}/mmffdfsb.par +share/openbabel/${PKGVERSION}/mmffoop.par +share/openbabel/${PKGVERSION}/mmffpbci.par +share/openbabel/${PKGVERSION}/mmffprop.par +share/openbabel/${PKGVERSION}/mmffs_oop.par +share/openbabel/${PKGVERSION}/mmffs_tor.par +share/openbabel/${PKGVERSION}/mmffstbn.par +share/openbabel/${PKGVERSION}/mmfftor.par +share/openbabel/${PKGVERSION}/mmffvdw.par +share/openbabel/${PKGVERSION}/mr.txt +share/openbabel/${PKGVERSION}/patterns.txt +share/openbabel/${PKGVERSION}/phmodel.txt +share/openbabel/${PKGVERSION}/plugindefines.txt +share/openbabel/${PKGVERSION}/psa.txt +share/openbabel/${PKGVERSION}/qeq.txt +share/openbabel/${PKGVERSION}/resdata.txt +share/openbabel/${PKGVERSION}/ringtyp.txt +share/openbabel/${PKGVERSION}/space-groups.txt +share/openbabel/${PKGVERSION}/superatom.txt +share/openbabel/${PKGVERSION}/svgformat.script +share/openbabel/${PKGVERSION}/torlib.txt +share/openbabel/${PKGVERSION}/types.txt diff --git a/biology/openbabel/buildlink3.mk b/biology/openbabel/buildlink3.mk new file mode 100644 index 00000000000..35ae4aed82f --- /dev/null +++ b/biology/openbabel/buildlink3.mk @@ -0,0 +1,16 @@ +# $NetBSD: buildlink3.mk,v 1.1.1.1 2011/10/05 22:15:49 ryoon Exp $ + +BUILDLINK_TREE+= openbabel + +.if !defined(OPENBABEL_BUILDLINK3_MK) +OPENBABEL_BUILDLINK3_MK:= + +BUILDLINK_API_DEPENDS.openbabel+= openbabel>=2.3.0 +BUILDLINK_PKGSRCDIR.openbabel?= ../../biology/openbabel + +.include "../../devel/zlib/buildlink3.mk" +.include "../../math/eigen2/buildlink3.mk" +.include "../../textproc/libxml2/buildlink3.mk" +.endif # OPENBABEL_BUILDLINK3_MK + +BUILDLINK_TREE+= -openbabel diff --git a/biology/openbabel/distinfo b/biology/openbabel/distinfo new file mode 100644 index 00000000000..cb553f308ec --- /dev/null +++ b/biology/openbabel/distinfo @@ -0,0 +1,6 @@ +$NetBSD: distinfo,v 1.1.1.1 2011/10/05 22:15:48 ryoon Exp $ + +SHA1 (openbabel-2.3.0.tar.gz) = 408a4bddb7f052fd89c57ea51b4204b721856b16 +RMD160 (openbabel-2.3.0.tar.gz) = 96dafa3c2aca544f79e08b5617ab0da845c28a16 +Size (openbabel-2.3.0.tar.gz) = 14321281 bytes +SHA1 (patch-doc_CMakeLists.txt) = aad6a7c17783949667d43cf41bfdf268166f1208 diff --git a/biology/openbabel/options.mk b/biology/openbabel/options.mk new file mode 100644 index 00000000000..21c82567c5e --- /dev/null +++ b/biology/openbabel/options.mk @@ -0,0 +1,17 @@ +# $NetBSD: options.mk,v 1.1.1.1 2011/10/05 22:15:49 ryoon Exp $ + +PKG_OPTIONS_VAR= PKG_OPTIONS.openbabel +PKG_SUPPORTED_OPTIONS= wx-gui +PKG_SUGGESTED_OPTIONS= + +PLIST_VARS+= wx-gui + +.include "../../mk/bsd.options.mk" + +.if !empty(PKG_OPTIONS:Mwx-gui) +. include "../../x11/wxGTK28/buildlink3.mk" +CMAKE_ARGS+= -DBUILD_GUI=ON +PLIST.wx-gui= yes +.else +CMAKE_ARGS+= -DBUILD_GUI=OFF +.endif diff --git a/biology/openbabel/patches/patch-doc_CMakeLists.txt b/biology/openbabel/patches/patch-doc_CMakeLists.txt new file mode 100644 index 00000000000..e86c81f655e --- /dev/null +++ b/biology/openbabel/patches/patch-doc_CMakeLists.txt @@ -0,0 +1,13 @@ +$NetBSD: patch-doc_CMakeLists.txt,v 1.1.1.1 2011/10/05 22:15:49 ryoon Exp $ + +Fix man path. + +--- doc/CMakeLists.txt.orig 2010-07-12 13:05:06.000000000 +0000 ++++ doc/CMakeLists.txt +@@ -1,5 +1,5 @@ + file(GLOB man_1 *.1) +-install(FILES ${man_1} DESTINATION share/man/man1) ++install(FILES ${man_1} DESTINATION man/man1) + + OPTION(BUILD_DOCS "Build Open Babel documentation" OFF) + IF(BUILD_DOCS) |