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openbabel-2.4.1-lp151.4.3 RPM for ppc64le

From OpenSuSE Ports Leap 15.1 for ppc64le

Name: openbabel Distribution: openSUSE Leap 15.1
Version: 2.4.1 Vendor: openSUSE
Release: lp151.4.3 Build date: Tue Dec 18 00:31:59 2018
Group: Development/Libraries/C and C++ Build host: obs-power8-03
Size: 16280999 Source RPM: openbabel-2.4.1-lp151.4.3.src.rpm
Packager: https://bugs.opensuse.org
Url: http://openbabel.sourceforge.net/
Summary: A chemistry toolbox
Open Babel is a chemical toolbox understanding many formats of
chemical data. It allows to search, convert, analyze, or store data
from molecular modeling, chemistry, solid-state materials,
biochemistry, or related areas.

Provides

Requires

License

GPL-2.0

Changelog

* Wed May 16 2018 guillaume.gardet@opensuse.org
  - Backport https://github.com/openbabel/openbabel/commit/e26491
    * fix_narrowing.patch
  - Backport https://github.com/openbabel/openbabel/commit/8d707b
    * fix_yasara.patch
* Sun May 13 2018 wbauer@tmo.at
  - Don't delete command line tools, include them in the main package
    as with openbabel < 2.4
  - Pass -ULIB_INSTALL_DIR to unset this var, the %cmake macro sets
    it to %{_libdir} resulting in a duplicate /usr in the module
    search path which causes the plugins not to be found (boo#997190)
* Wed Feb 21 2018 wbauer@tmo.at
  - Provide/Obsolete libopenbabel-devel for compatibility
* Sun Feb 18 2018 jengelh@inai.de
  - Fix RPM groups. Update descriptions.
* Sat Feb 03 2018 wbauer@tmo.at
  - Force python2 by passing -DPYTHON_EXECUTABLE=%{_bindir}/python2
    to cmake to fix build on Tumbleweed
* Mon Feb 06 2017 mailaender@opensuse.org
  - build with wxWidgets support
  - add baselibs.conf
  - enable python support (for real now)
  - add libinchi0 and openbabel sub packages
  - correct the .so version suffix for libopenbabel
  - Drop openbabel-2.3.1-no-build-date.patch
* Sun Nov 20 2016 aloisio@gmx.com
  - Update to version 2.4.1, see
    https://sourceforge.net/projects/openbabel/files/openbabel/2.4.0
    for changelog
  - Dropped cripple_source.sh
  - Replaced openbabel-2.2.3-no-build-date.patch with
    sed regex
  - Dropped build-checks.diff due to significant source
    changes
  - Dropped python-installdir.patch (included upstream)
  - Dropped openbabel-gcc5.patch (included upstream)
* Sun Jun 19 2016 schwab@suse.de
  - openbabel-gcc6.patch: remove obsolete hunk
* Fri Jun 17 2016 martin.liska@suse.com
  - Fix errors seen by 02-check-gcc-output script.
* Thu Jun 16 2016 tchvatal@suse.com
  - Version update to 2.3.2 and cripple the tarball
    * various small bugfixes, the git is far away from this but
      upstream seems not to do releases
    * Add patch to properly install bindings to right location:
      + python-installdir.patch
* Thu Jun 16 2016 mliska@suse.cz
  - Add patch to build with gcc6 openbabel-gcc6.patch
* Fri Jun 19 2015 dimstar@opensuse.org
  - Add openbabel-gcc5.patch: Fix build with gcc5.
* Mon Aug 05 2013 hrvoje.senjan@gmail.com
  - enable CMAKE_SKIP_INSTALL_RPATH option so RPATH is ommited from
    install tree
* Tue Nov 20 2012 nico.kruber@gmail.com
  - Fix the SLES build (%make_install is not expanded on SLES)
* Thu Apr 05 2012 coolo@suse.com
  - add -32bit libs for avogadro
* Fri Mar 23 2012 dhall@wustl.edu
  - Add python bindings
* Tue Nov 29 2011 ro@suse.de
  - determine arch suffix from _lib macro
* Tue Oct 18 2011 dhall@wustl.edu
  - updated to OpenBabel 2.3.1
    * Better support for unknown stereochemistry, including a "wobbly" bond in 2D depiction.
    * Many fixes for rare bugs with stereochemical conversions, including unusual valences.
    * Significantly improved 2D depiction code, improving performance and cis/trans stereochemical accuracy
    * Added support for direct 2D depiction to PNG files using the Cairo library, if available.
    * PNG files from Open Babel contain molecular information and can be read to give the MDL Molfile.
    * SVG files with 2D depiction can now include a grid of molecules with embedded JavaScript to zoom and scroll.
    * Molecular formulas now include the total charge (e.g., HCO2-)
    * Added the EEM partial charge model from Bultinck, et. al.
    * Fixed problems with FastSearch databases larger than 4GB, now checking for large files.
    * Improved performance with force field minimization, particularly the UFF and GAFF methods.
    * Several MMFF94 atom typing bugs fixed.
    * Updated GAFF parameters from the AmberTools distribution.
    * Improvements in 3D coordinate generation, particularly more accurate sp3 bond angles
    * Fixed tests for auto-typing molecules with force fields when running through different isomers.
    * Improvements in scripting bindings, particularly Python, Ruby, and Java
    * Pybel now uses the built-in 2D depiction, and no longer needs OASA.
    * Added initial support for MM3 atom typing with the Tinker package
    * Significant bug fixes for the PDBQT format.
    * Reading FASTA files can now generate 3D coordinates for single-stranded DNA in addition to the default double-strand.
    * Support for reading/writing unit cell information from MOPAC files.
    * Support for re-numbering SMILES by specifying the first and last atoms with -xf and -xl flags.
    * Better support for InChI -> InChI key generation by direct conversion, rather than re-perception of the InChI.
    * Fix for rare stack overflow crash in SMARTS perception.
    * Improved UNIX man pages.
    * Many bug fixes and small enhancements
    * New File Formats
    * Import and Export:
    * Gromacs GRO
    * Import:
    * ABINIT
    * XCrySDen XSF
    * Export:
    * InChI Key
* Sat Jun 18 2011 dhall@wustl.edu
  - use rpm %ifarch
* Fri Jun 17 2011 dhall@wustl.edu
  - Updated to OpenBabel 2.3.0
    * Completely rewritten stereochemistry perception, including support
      for tetrahedral, square planar, and higher-order stereochemistry.
    * Dramatically improved canonicalization algorithm (Note that in general, canonical SMILES have changed since the 2.2.x release.)
    * 2D depiction, including SVG vector graphics generation using code from MCDL.
    * New Spectrophore generation, contributed by Silicos NV.
    * New ChargeMethod API including support for partial charge assignment
      from Gasteiger, MMFF94, QEq, QTPIE methods and plugin interface for
      adding more.
    * Improved 3D coordinate generation.
    * New conformer generation framework, including support for diverse
      conformer generation and genetic algorithm lowest-energy searching.
    * Improved user documentation.
    * Improved aromaticity / Kekule bond assignment.
    * Improved unit test suite using the CMake-based CTest program.
    * Improved support for crystallographic unit cells (e.g., in CIF format).
    * Improved UFF force field method, including hypervalent 5, 6, 7 and higher coordination numbers.
    * Support for the GAFF (Generalized Amber Force Field) method.
    * Support for reading geometry optimizations as multiple conformers
      from Gaussian, GAMESS-US, and other quantum chemistry packages.
    * Support for reading molecular orbital energies from quantum chemistry formats.
    * Several memory leaks fixed.
    * Fixed many compiler warnings.
    * Fixed support for MinGW and Cygwin environments.
    * Fixed bugs with Gaussian 09 output files.
    * Latest released version of the InChI library (1.0.3) generating standard InChI.
    * Many more bug fixes and small feature improvements.
* Mon Sep 13 2010 cristian.rodriguez@opensuse.org
  - Do not include build dates in binaries.
* Sat Sep 11 2010 alinm.elena@gmail.com
  - added pkg-config to remove the error during the build
* Sat Sep 11 2010 alinm.elena@gmail.com
  - Updated to OpenBabel 2.2.3
    * Improved Java interface
    * Many fixes to the fingerprint code
    * Added support of the pH parameter to the GUI
    * Several bug fixes and small enhancements-
* Sat Jul 25 2009 beineri@opensuse.org
  - update to OpenBabel 2.2.2:
    * Fixed many stereochemistry errors when reading/writing SMILES.
    * Significantly improved aromaticity and Kekule bond assignment.
    * Improved 2D -> 3D coordinate generation
    * Improved coordinate generation using --gen3d command-line operation
    * Improved performance for coordinate generation.
    * New --fillUC command-line operation for babel.
    * Fixes to pH-dependent hydrogen addition.
    * Added support for reading vibrational data from Molden, Molpro,
      and NWChem output files.
    * Updated atomic radii from recent theoretical calculations.
    * Fixed bug when reading gzip-compressed Mol2 or XML files.
    * Close files after an error. Fixes a bug with Pybel where files
      would remain open.
    * New File Formats Import & Export:
    - Molpro input and output.
    - VASP coordinate files (CONTCAR and POSCAR).
  - update to OpenBabel 2.2.1:
    * Added support for MACCS fingerprints.
    * Many fixes and enhancements to the force field code.
    * Improved 3D coordinate generation, particularly with ring fragments.
    * Fixed a variety of PDB import errors with atom types.
    * Added support for reading charges and radii from PQR file formats.
    * Added support for reading and writing unit cells in PDB formats.
    * New "output" file format for taking generic ".out", ".log", and
      ".dat" files and reading with appropriate file type based on contents.
    * Added improved error handling/reporting when unable to load file formats.
    * Improved CIF file format support.
    * Generic "output" format for reading from quantum chemistry files.

Files

/usr/bin/babel
/usr/bin/obabel
/usr/bin/obchiral
/usr/bin/obconformer
/usr/bin/obdistgen
/usr/bin/obenergy
/usr/bin/obfit
/usr/bin/obgen
/usr/bin/obgrep
/usr/bin/obminimize
/usr/bin/obprobe
/usr/bin/obprop
/usr/bin/obrms
/usr/bin/obrotamer
/usr/bin/obrotate
/usr/bin/obspectrophore
/usr/bin/obsym
/usr/bin/obtautomer
/usr/bin/obthermo
/usr/bin/roundtrip
/usr/lib64/openbabel
/usr/lib64/openbabel/2.4.1
/usr/lib64/openbabel/2.4.1/APIInterface.so
/usr/lib64/openbabel/2.4.1/CSRformat.so
/usr/lib64/openbabel/2.4.1/MCDLformat.so
/usr/lib64/openbabel/2.4.1/MNAformat.so
/usr/lib64/openbabel/2.4.1/PQSformat.so
/usr/lib64/openbabel/2.4.1/abinitformat.so
/usr/lib64/openbabel/2.4.1/acesformat.so
/usr/lib64/openbabel/2.4.1/acrformat.so
/usr/lib64/openbabel/2.4.1/adfformat.so
/usr/lib64/openbabel/2.4.1/alchemyformat.so
/usr/lib64/openbabel/2.4.1/amberformat.so
/usr/lib64/openbabel/2.4.1/aoforceformat.so
/usr/lib64/openbabel/2.4.1/asciiformat.so
/usr/lib64/openbabel/2.4.1/balstformat.so
/usr/lib64/openbabel/2.4.1/bgfformat.so
/usr/lib64/openbabel/2.4.1/boxformat.so
/usr/lib64/openbabel/2.4.1/cacaoformat.so
/usr/lib64/openbabel/2.4.1/cacheformat.so
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/usr/lib64/openbabel/2.4.1/castepformat.so
/usr/lib64/openbabel/2.4.1/cccformat.so
/usr/lib64/openbabel/2.4.1/cdxmlformat.so
/usr/lib64/openbabel/2.4.1/chem3dformat.so
/usr/lib64/openbabel/2.4.1/chemdoodlejsonformat.so
/usr/lib64/openbabel/2.4.1/chemdrawcdx.so
/usr/lib64/openbabel/2.4.1/chemdrawct.so
/usr/lib64/openbabel/2.4.1/chemkinformat.so
/usr/lib64/openbabel/2.4.1/chemtoolformat.so
/usr/lib64/openbabel/2.4.1/cifformat.so
/usr/lib64/openbabel/2.4.1/cmlformat.so
/usr/lib64/openbabel/2.4.1/cmlreactformat.so
/usr/lib64/openbabel/2.4.1/confabreport.so
/usr/lib64/openbabel/2.4.1/copyformat.so
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/usr/lib64/openbabel/2.4.1/fingerprintformat.so
/usr/lib64/openbabel/2.4.1/fpsformat.so
/usr/lib64/openbabel/2.4.1/freefracformat.so
/usr/lib64/openbabel/2.4.1/gamessformat.so
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/usr/lib64/openbabel/2.4.1/gulpformat.so
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/usr/lib64/openbabel/2.4.1/mdlformat.so
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/usr/lib64/openbabel/2.4.1/mmodformat.so
/usr/lib64/openbabel/2.4.1/mol2format.so
/usr/lib64/openbabel/2.4.1/moldenformat.so
/usr/lib64/openbabel/2.4.1/molproformat.so
/usr/lib64/openbabel/2.4.1/molreport.so
/usr/lib64/openbabel/2.4.1/mopacformat.so
/usr/lib64/openbabel/2.4.1/mpdformat.so
/usr/lib64/openbabel/2.4.1/mpqcformat.so
/usr/lib64/openbabel/2.4.1/msiformat.so
/usr/lib64/openbabel/2.4.1/msmsformat.so
/usr/lib64/openbabel/2.4.1/nulformat.so
/usr/lib64/openbabel/2.4.1/nwchemformat.so
/usr/lib64/openbabel/2.4.1/opendxformat.so
/usr/lib64/openbabel/2.4.1/orcaformat.so
/usr/lib64/openbabel/2.4.1/outformat.so
/usr/lib64/openbabel/2.4.1/painterformat.so
/usr/lib64/openbabel/2.4.1/pcmodelformat.so
/usr/lib64/openbabel/2.4.1/pdbformat.so
/usr/lib64/openbabel/2.4.1/pdbqtformat.so
/usr/lib64/openbabel/2.4.1/plugin_charges.so
/usr/lib64/openbabel/2.4.1/plugin_descriptors.so
/usr/lib64/openbabel/2.4.1/plugin_fingerprints.so
/usr/lib64/openbabel/2.4.1/plugin_forcefields.so
/usr/lib64/openbabel/2.4.1/plugin_ops.so
/usr/lib64/openbabel/2.4.1/png2format.so
/usr/lib64/openbabel/2.4.1/pngformat.so
/usr/lib64/openbabel/2.4.1/pointcloudformat.so
/usr/lib64/openbabel/2.4.1/posformat.so
/usr/lib64/openbabel/2.4.1/povrayformat.so
/usr/lib64/openbabel/2.4.1/pqrformat.so
/usr/lib64/openbabel/2.4.1/pubchem.so
/usr/lib64/openbabel/2.4.1/pubchemjsonformat.so
/usr/lib64/openbabel/2.4.1/pwscfformat.so
/usr/lib64/openbabel/2.4.1/qchemformat.so
/usr/lib64/openbabel/2.4.1/reportformat.so
/usr/lib64/openbabel/2.4.1/rsmiformat.so
/usr/lib64/openbabel/2.4.1/rxnformat.so
/usr/lib64/openbabel/2.4.1/shelxformat.so
/usr/lib64/openbabel/2.4.1/siestaformat.so
/usr/lib64/openbabel/2.4.1/smilesformat.so
/usr/lib64/openbabel/2.4.1/smileyformat.so
/usr/lib64/openbabel/2.4.1/stlformat.so
/usr/lib64/openbabel/2.4.1/svgformat.so
/usr/lib64/openbabel/2.4.1/textformat.so
/usr/lib64/openbabel/2.4.1/thermoformat.so
/usr/lib64/openbabel/2.4.1/tinkerformat.so
/usr/lib64/openbabel/2.4.1/titleformat.so
/usr/lib64/openbabel/2.4.1/turbomoleformat.so
/usr/lib64/openbabel/2.4.1/unichemformat.so
/usr/lib64/openbabel/2.4.1/vaspformat.so
/usr/lib64/openbabel/2.4.1/viewmolformat.so
/usr/lib64/openbabel/2.4.1/xedformat.so
/usr/lib64/openbabel/2.4.1/xmlformat.so
/usr/lib64/openbabel/2.4.1/xsfformat.so
/usr/lib64/openbabel/2.4.1/xtcformat.so
/usr/lib64/openbabel/2.4.1/xyzformat.so
/usr/lib64/openbabel/2.4.1/yasaraformat.so
/usr/lib64/openbabel/2.4.1/zindoformat.so
/usr/share/man/man1/babel.1.gz
/usr/share/man/man1/obabel.1.gz
/usr/share/man/man1/obchiral.1.gz
/usr/share/man/man1/obconformer.1.gz
/usr/share/man/man1/obenergy.1.gz
/usr/share/man/man1/obfit.1.gz
/usr/share/man/man1/obgen.1.gz
/usr/share/man/man1/obgrep.1.gz
/usr/share/man/man1/obgui.1.gz
/usr/share/man/man1/obminimize.1.gz
/usr/share/man/man1/obprobe.1.gz
/usr/share/man/man1/obprop.1.gz
/usr/share/man/man1/obrotamer.1.gz
/usr/share/man/man1/obrotate.1.gz
/usr/share/man/man1/obspectrophore.1.gz
/usr/share/man/man1/roundtrip.1.gz
/usr/share/openbabel
/usr/share/openbabel/2.4.1
/usr/share/openbabel/2.4.1/MACCS.txt
/usr/share/openbabel/2.4.1/SMARTS_InteLigand.txt
/usr/share/openbabel/2.4.1/UFF.prm
/usr/share/openbabel/2.4.1/aromatic.txt
/usr/share/openbabel/2.4.1/atomization-energies.txt
/usr/share/openbabel/2.4.1/atomtyp.txt
/usr/share/openbabel/2.4.1/babel_povray3.inc
/usr/share/openbabel/2.4.1/bondtyp.txt
/usr/share/openbabel/2.4.1/eem.txt
/usr/share/openbabel/2.4.1/eem2015ba.txt
/usr/share/openbabel/2.4.1/eem2015bm.txt
/usr/share/openbabel/2.4.1/eem2015bn.txt
/usr/share/openbabel/2.4.1/eem2015ha.txt
/usr/share/openbabel/2.4.1/eem2015hm.txt
/usr/share/openbabel/2.4.1/eem2015hn.txt
/usr/share/openbabel/2.4.1/element.txt
/usr/share/openbabel/2.4.1/eqeqIonizations.txt
/usr/share/openbabel/2.4.1/fragments.txt
/usr/share/openbabel/2.4.1/gaff.dat
/usr/share/openbabel/2.4.1/gaff.prm
/usr/share/openbabel/2.4.1/ghemical.prm
/usr/share/openbabel/2.4.1/isotope-small.txt
/usr/share/openbabel/2.4.1/isotope.txt
/usr/share/openbabel/2.4.1/logp.txt
/usr/share/openbabel/2.4.1/mmff94.ff
/usr/share/openbabel/2.4.1/mmff94s.ff
/usr/share/openbabel/2.4.1/mmffang.par
/usr/share/openbabel/2.4.1/mmffbndk.par
/usr/share/openbabel/2.4.1/mmffbond.par
/usr/share/openbabel/2.4.1/mmffchg.par
/usr/share/openbabel/2.4.1/mmffdef.par
/usr/share/openbabel/2.4.1/mmffdfsb.par
/usr/share/openbabel/2.4.1/mmffoop.par
/usr/share/openbabel/2.4.1/mmffpbci.par
/usr/share/openbabel/2.4.1/mmffprop.par
/usr/share/openbabel/2.4.1/mmffs_oop.par
/usr/share/openbabel/2.4.1/mmffs_tor.par
/usr/share/openbabel/2.4.1/mmffstbn.par
/usr/share/openbabel/2.4.1/mmfftor.par
/usr/share/openbabel/2.4.1/mmffvdw.par
/usr/share/openbabel/2.4.1/mpC.txt
/usr/share/openbabel/2.4.1/mr.txt
/usr/share/openbabel/2.4.1/patterns.txt
/usr/share/openbabel/2.4.1/phmodel.txt
/usr/share/openbabel/2.4.1/plugindefines.txt
/usr/share/openbabel/2.4.1/psa.txt
/usr/share/openbabel/2.4.1/qeq.txt
/usr/share/openbabel/2.4.1/resdata.txt
/usr/share/openbabel/2.4.1/ringtyp.txt
/usr/share/openbabel/2.4.1/space-groups.txt
/usr/share/openbabel/2.4.1/splash.png
/usr/share/openbabel/2.4.1/superatom.txt
/usr/share/openbabel/2.4.1/svgformat.script
/usr/share/openbabel/2.4.1/templates.sdf
/usr/share/openbabel/2.4.1/torlib.txt
/usr/share/openbabel/2.4.1/types.txt


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