Date: Wed, 24 May 2017 01:43:01 +0000 (UTC) From: "Danilo G. Baio" <dbaio@FreeBSD.org> To: ports-committers@freebsd.org, svn-ports-all@freebsd.org, svn-ports-head@freebsd.org Subject: svn commit: r441557 - in head/science/openbabel: . files Message-ID: <201705240143.v4O1h14w034962@repo.freebsd.org>
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Author: dbaio Date: Wed May 24 01:43:00 2017 New Revision: 441557 URL: https://svnweb.freebsd.org/changeset/ports/441557 Log: science/openbabel: Update to 2.4.1 Patches removed: patch-git_c3abbdda, patch-gcc5-support (Integrated upstream) patch-scripts__CMakeLists.txt (Builds without it) While here, set LICENSE and simplify BUILD_DEPENDS. Changes: https://github.com/openbabel/openbabel/releases PR: 219382 Submitted by: Yuri Victorovich <yuri@rawbw.com> Approved by: garga (mentor) Differential Revision: https://reviews.freebsd.org/D10837 Deleted: head/science/openbabel/files/ Modified: head/science/openbabel/Makefile head/science/openbabel/distinfo head/science/openbabel/pkg-plist Modified: head/science/openbabel/Makefile ============================================================================== --- head/science/openbabel/Makefile Wed May 24 00:45:17 2017 (r441556) +++ head/science/openbabel/Makefile Wed May 24 01:43:00 2017 (r441557) @@ -2,15 +2,17 @@ # $FreeBSD$ PORTNAME= openbabel -PORTVERSION= 2.3.2 -PORTREVISION= 2 +PORTVERSION= 2.4.1 CATEGORIES= science MASTER_SITES= SF MAINTAINER= ports@FreeBSD.org COMMENT= Chemistry file translation program -BUILD_DEPENDS= ${LOCALBASE}/include/eigen3/Eigen/Eigen:math/eigen3 +LICENSE= GPLv2+ +LICENSE_FILE= ${WRKSRC}/COPYING + +BUILD_DEPENDS= eigen>=0:math/eigen3 BROKEN_powerpc64= Does not build: relocation truncated to fit: R_PPC64_TOC16_DS @@ -38,7 +40,7 @@ PYTHON_CMAKE_ON= -DPYTHON_BINDINGS=on post-patch: ${REINPLACE_CMD} -e '/pkgconfig/s,$${LIB_INSTALL_DIR},libdata,' \ ${WRKSRC}/CMakeLists.txt - ${REINPLACE_CMD} -e 's,share/man,man,' \ + ${REINPLACE_CMD} -e 's,man/man1,../man/man1,' \ ${WRKSRC}/doc/CMakeLists.txt post-patch-CAIRO-off: Modified: head/science/openbabel/distinfo ============================================================================== --- head/science/openbabel/distinfo Wed May 24 00:45:17 2017 (r441556) +++ head/science/openbabel/distinfo Wed May 24 01:43:00 2017 (r441557) @@ -1,2 +1,3 @@ -SHA256 (openbabel-2.3.2.tar.gz) = 4eaca26679aa6cc85ebf96af19191472ac63ca442c36b0427b369c3a25705188 -SIZE (openbabel-2.3.2.tar.gz) = 20509105 +TIMESTAMP = 1495085400 +SHA256 (openbabel-2.4.1.tar.gz) = 204136582cdfe51d792000b20202de8950218d617fd9c6e18cee36706a376dfc +SIZE (openbabel-2.4.1.tar.gz) = 11618304 Modified: head/science/openbabel/pkg-plist ============================================================================== --- head/science/openbabel/pkg-plist Wed May 24 00:45:17 2017 (r441556) +++ head/science/openbabel/pkg-plist Wed May 24 01:43:00 2017 (r441557) @@ -2,6 +2,7 @@ bin/babel bin/obabel bin/obchiral bin/obconformer +bin/obdistgen bin/obenergy bin/obfit bin/obgen @@ -13,6 +14,9 @@ bin/obrms bin/obrotamer bin/obrotate bin/obspectrophore +bin/obsym +bin/obtautomer +bin/obthermo bin/roundtrip include/inchi/inchi_api.h include/openbabel-2.0/openbabel/alias.h @@ -31,7 +35,9 @@ include/openbabel-2.0/openbabel/chemdraw 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/data_utilities.h include/openbabel-2.0/openbabel/descriptor.h +include/openbabel-2.0/openbabel/distgeom.h include/openbabel-2.0/openbabel/dlhandler.h include/openbabel-2.0/openbabel/fingerprint.h include/openbabel-2.0/openbabel/forcefield.h @@ -44,6 +50,9 @@ include/openbabel-2.0/openbabel/groupcon 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/json/customwriter.h +include/openbabel-2.0/openbabel/json/json-forwards.h +include/openbabel-2.0/openbabel/json/json.h include/openbabel-2.0/openbabel/kinetics.h include/openbabel-2.0/openbabel/lineend.h include/openbabel-2.0/openbabel/locale.h @@ -85,6 +94,7 @@ include/openbabel-2.0/openbabel/stereo/s 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/tautomer.h include/openbabel-2.0/openbabel/text.h include/openbabel-2.0/openbabel/tokenst.h include/openbabel-2.0/openbabel/typer.h @@ -97,8 +107,8 @@ lib/libinchi.so lib/libinchi.so.0 lib/libinchi.so.0.4.1 lib/libopenbabel.so -lib/libopenbabel.so.4 -lib/libopenbabel.so.4.0.2 +lib/libopenbabel.so.5 +lib/libopenbabel.so.5.0.0 lib/openbabel/%%VERSION%%/APIInterface.so lib/openbabel/%%VERSION%%/CSRformat.so lib/openbabel/%%VERSION%%/MCDLformat.so @@ -110,6 +120,7 @@ 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 @@ -121,6 +132,7 @@ lib/openbabel/%%VERSION%%/castepformat.s 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 @@ -128,12 +140,15 @@ lib/openbabel/%%VERSION%%/chemtoolformat lib/openbabel/%%VERSION%%/cifformat.so lib/openbabel/%%VERSION%%/cmlformat.so lib/openbabel/%%VERSION%%/cmlreactformat.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 @@ -156,6 +171,8 @@ 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%%/mdffformat.so lib/openbabel/%%VERSION%%/mdlformat.so lib/openbabel/%%VERSION%%/mmcifformat.so lib/openbabel/%%VERSION%%/mmodformat.so @@ -171,7 +188,9 @@ 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 @@ -182,17 +201,22 @@ lib/openbabel/%%VERSION%%/plugin_forcefi 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%%/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 @@ -228,48 +252,59 @@ man/man1/obrotamer.1.gz man/man1/obrotate.1.gz man/man1/obspectrophore.1.gz man/man1/roundtrip.1.gz -share/openbabel/%%VERSION%%/MACCS.txt -share/openbabel/%%VERSION%%/SMARTS_InteLigand.txt -share/openbabel/%%VERSION%%/UFF.prm -share/openbabel/%%VERSION%%/aromatic.txt -share/openbabel/%%VERSION%%/atomtyp.txt -share/openbabel/%%VERSION%%/babel_povray3.inc -share/openbabel/%%VERSION%%/bondtyp.txt -share/openbabel/%%VERSION%%/element.txt -share/openbabel/%%VERSION%%/fragments.txt -share/openbabel/%%VERSION%%/gaff.dat -share/openbabel/%%VERSION%%/gaff.prm -share/openbabel/%%VERSION%%/ghemical.prm -share/openbabel/%%VERSION%%/isotope-small.txt -share/openbabel/%%VERSION%%/isotope.txt -share/openbabel/%%VERSION%%/logp.txt -share/openbabel/%%VERSION%%/mmff94.ff -share/openbabel/%%VERSION%%/mmff94s.ff -share/openbabel/%%VERSION%%/mmffang.par -share/openbabel/%%VERSION%%/mmffbndk.par -share/openbabel/%%VERSION%%/mmffbond.par -share/openbabel/%%VERSION%%/mmffchg.par -share/openbabel/%%VERSION%%/mmffdef.par -share/openbabel/%%VERSION%%/mmffdfsb.par -share/openbabel/%%VERSION%%/mmffoop.par -share/openbabel/%%VERSION%%/mmffpbci.par -share/openbabel/%%VERSION%%/mmffprop.par -share/openbabel/%%VERSION%%/mmffs_oop.par -share/openbabel/%%VERSION%%/mmffs_tor.par -share/openbabel/%%VERSION%%/mmffstbn.par -share/openbabel/%%VERSION%%/mmfftor.par -share/openbabel/%%VERSION%%/mmffvdw.par -share/openbabel/%%VERSION%%/mr.txt -share/openbabel/%%VERSION%%/patterns.txt -share/openbabel/%%VERSION%%/phmodel.txt -share/openbabel/%%VERSION%%/plugindefines.txt -share/openbabel/%%VERSION%%/psa.txt -share/openbabel/%%VERSION%%/qeq.txt -share/openbabel/%%VERSION%%/resdata.txt -share/openbabel/%%VERSION%%/ringtyp.txt -share/openbabel/%%VERSION%%/space-groups.txt -share/openbabel/%%VERSION%%/splash.png -share/openbabel/%%VERSION%%/superatom.txt -share/openbabel/%%VERSION%%/svgformat.script -share/openbabel/%%VERSION%%/torlib.txt -share/openbabel/%%VERSION%%/types.txt +%%DATADIR%%/%%VERSION%%/MACCS.txt +%%DATADIR%%/%%VERSION%%/SMARTS_InteLigand.txt +%%DATADIR%%/%%VERSION%%/UFF.prm +%%DATADIR%%/%%VERSION%%/aromatic.txt +%%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%%/element.txt +%%DATADIR%%/%%VERSION%%/eqeqIonizations.txt +%%DATADIR%%/%%VERSION%%/fragments.txt +%%DATADIR%%/%%VERSION%%/gaff.dat +%%DATADIR%%/%%VERSION%%/gaff.prm +%%DATADIR%%/%%VERSION%%/ghemical.prm +%%DATADIR%%/%%VERSION%%/isotope-small.txt +%%DATADIR%%/%%VERSION%%/isotope.txt +%%DATADIR%%/%%VERSION%%/logp.txt +%%DATADIR%%/%%VERSION%%/mpC.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%%/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%%/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%%/types.txt
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