Package Release Info


Update Info: Base Release
Available in Package Hub : 15 SP3





Change Logs

Version: 2.4.1-bp151.2.12
* Wed May 16 2018
- Backport
  * fix_narrowing.patch
- Backport
  * fix_yasara.patch
Version: 2.4.1-bp150.2.3
* 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:
  * 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.