svn commit: r441557 - in head/science/openbabel: . files
Danilo G. Baio
dbaio at FreeBSD.org
Wed May 24 01:43:02 UTC 2017
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 at 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 at 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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