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libinchi0-32bit-2.4.1-5.12 RPM for x86_64

From OpenSuSE Tumbleweed for x86_64

Name: libinchi0-32bit Distribution: openSUSE Tumbleweed
Version: 2.4.1 Vendor: openSUSE
Release: 5.12 Build date: Sat Dec 4 04:52:15 2021
Group: System/Libraries Build host: lamb28
Size: 1175837 Source RPM: openbabel-2.4.1-5.12.src.rpm
Summary: Component library of Open Babel, 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.






* Mon Mar 30 2020 Martin Pluskal <>
  - Modernise spec file
  - Drop old conditionals
  - Use ninja as builder
  - Build only python3 bindings
* Wed May 16 2018
  - Backport
    * fix_narrowing.patch
  - Backport
    * fix_yasara.patch
* Sun May 13 2018
  - 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
  - Provide/Obsolete libopenbabel-devel for compatibility
* Sun Feb 18 2018
  - Fix RPM groups. Update descriptions.
* Sat Feb 03 2018
  - Force python2 by passing -DPYTHON_EXECUTABLE=%{_bindir}/python2
    to cmake to fix build on Tumbleweed
* Mon Feb 06 2017
  - 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
  - Update to version 2.4.1, see
    for changelog
  - Dropped
  - Replaced openbabel-2.2.3-no-build-date.patch with
    sed regex
  - Dropped build-checks.diff due to significant source
  - Dropped python-installdir.patch (included upstream)
  - Dropped openbabel-gcc5.patch (included upstream)
* Sun Jun 19 2016
  - openbabel-gcc6.patch: remove obsolete hunk
* Fri Jun 17 2016
  - Fix errors seen by 02-check-gcc-output script.
* Thu Jun 16 2016
  - 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
  - Add patch to build with gcc6 openbabel-gcc6.patch
* Fri Jun 19 2015
  - Add openbabel-gcc5.patch: Fix build with gcc5.
* Mon Aug 05 2013
  - enable CMAKE_SKIP_INSTALL_RPATH option so RPATH is ommited from
    install tree
* Tue Nov 20 2012
  - Fix the SLES build (%make_install is not expanded on SLES)
* Thu Apr 05 2012
  - add -32bit libs for avogadro
* Fri Mar 23 2012
  - Add python bindings
* Tue Nov 29 2011
  - determine arch suffix from _lib macro
* Tue Oct 18 2011
  - 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
  - use rpm %ifarch
* Fri Jun 17 2011
  - 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
  - Do not include build dates in binaries.
* Sat Sep 11 2010
  - added pkg-config to remove the error during the build
* Sat Sep 11 2010
  - 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
  - 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.
* Tue Jul 22 2008
  - cripple tarball to remove binary dll's we don't need (bnc#411171)
* Sat Jul 19 2008
  - various fixes, fix library package name
* Wed Jul 09 2008
  - review last change
* Wed Jul 09 2008
  - update to OpenBabel 2.2.0:
* Sun Oct 21 2007
  - gcc 4.3 fixes
* Mon Oct 08 2007
  - Initial package (2.1.1)



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Fabrice Bellet, Thu Dec 30 23:45:01 2021