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| Name: openbabel-devel | Distribution: openSUSE Tumbleweed |
| Version: 3.1.1 | Vendor: openSUSE |
| Release: 5.2 | Build date: Wed Jul 9 21:30:12 2025 |
| Group: Development/Libraries/C and C++ | Build host: reproducible |
| Size: 886200 | Source RPM: openbabel-3.1.1-5.2.src.rpm |
| Packager: http://bugs.opensuse.org | |
| Url: https://openbabel.org | |
| Summary: Development files for Open Babel | |
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.
GPL-2.0-only
* Wed Jul 09 2025 Friedrich Haubensak <hsk17@mail.de>
- Until upstream provides fixed code, disable test_align_{4,5},
known to fail w/ gcc-15; see gh#openbabel/openbabel/issues/2766
and ..../2799
* Sat Apr 19 2025 Friedrich Haubensak <hsk17@mail.de>
- Add openbabel-cmake-4.patch and openbabel-cmake-4-exports.patch
to fix cmake-4 failures
* Sat Apr 19 2025 Friedrich Haubensak <hsk17@mail.de>
- Add patches from upstream to fix compiler deprecation warnings
* openbabel-3.1.1-std-binary-function.patch,
* openbabel-3.1.1-std-bind1st.patch,
* openbabel-3.1.1-std-bind2nd.patch
* Fri Mar 14 2025 Steve Kowalik <steven.kowalik@suse.com>
- Add BuildRequires on python3-setuptools, needed for Python 3.12+.
* Tue Jul 18 2023 Andreas Schwab <schwab@suse.de>
- Skip problematic tests and increase timeout on riscv64
* Fri Aug 26 2022 Antoine Belvire <antoine.belvire@opensuse.org>
- Don't define %upstream version from %version: %upstream_version
is used in Source tag and osc download service does not evaluate
%() nor %{lua:} in Source tags for security reasons.
- Drop entirely baselibs.conf: 32bit libraries seem unnecessary.
* Tue Aug 23 2022 Antoine Belvire <antoine.belvire@opensuse.org>
- Remove libinchi0 from baselibs.conf: Bundled inchi is not built
anymore.
* Sun Aug 14 2022 Antoine Belvire <antoine.belvire@opensuse.org>
- Update to version 3.1.1:
* Fixes for packaging.
* No features or significant bug fixes were involved.
- Changes from version 3.1.0:
* This version represents additional API and is
backwards-compatible with the 3.0 release.
* For a full list of changes, see:
https://open-babel.readthedocs.io/en/latest/ReleaseNotes/ob310.html
- Changes from version 3.0.0:
* This release represents a major update and is strongly
recommended for all users.
* It also removes deprecated components and breaks the API in a
few places. For information on migrating from the previous
version, please see:
https://open-babel.readthedocs.io/en/latest/UseTheLibrary/migration.html#migrating-to-3-0
* A sample of major new features:
+ Code for handling implicit hydrogens and kekulization has
been entirely replaced. As well as being accurate, the new
approach is much faster.
+ Speed of reading and writing SMILES has been improved by
more than 50-fold.
+ Removal of the old 'babel' binary in favor of the newer
'obabel' command-line tool.
+ New improved fragment-based 3D coordinate generation code.
+ New API for handling reactions stored as molecules (e.g.
Reaction InChI, etc.).
+ New API for copying part of an OBMol as a substructure.
+ Support for Maestro file format.
* For a full list of changes, see:
https://open-babel.readthedocs.io/en/latest/ReleaseNotes/ob300.html
- Remove upstreamed patches:
* fix_narrowing.patch
* fix_yasara.patch
- Add patches:
* openbabel-3.1.1-test-python3-escape-chars.patch: Fix python
test failure (gh#openbabel/openbabel#2217).
* openbabel-3.1.1-test-python3-imports.patch: Fix ImportError in
python tests (gh#openbabel/openbabel!2378).
* openbabel-3.1.1-version-number.patch: Fix version number.
* openbabel-3.1.1-gcc-12.patch: Fix build with GCC 12
(gh#openbabel/openbabel!2493).
* openbabel-3.1.1-wx-stl-compat.patch: Fix GUI build against
wxWidgets compiled with STL (gh#openbabel/openbabel!2527).
- Build against system's inchi library instead of the bundled one.
- Add maeparser-devel as build dependency: Needed for Maestro
support.
- Update subpackages:
* Compile and package GUI.
* Move plugins from CLI package (i.e. main package) to library
package: They should be available to other library clients
without requiring the CLI tools.
* Move data files from CLI package to library package: Some are
required by the library, some are required by its plugins,
let's move everything to library package for now.
- Drop __DATE__ and __TIME__ tweaks for reproducibility: These GCC
macros now use SOURCE_DATE_EPOCH.
- Enable tests.
* Mon Mar 30 2020 Martin Pluskal <mpluskal@suse.com>
- Modernise spec file
- Drop old conditionals
- Use ninja as builder
- Build only python3 bindings
* 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
/usr/include/openbabel3 /usr/include/openbabel3/LBFGS /usr/include/openbabel3/LBFGS.h /usr/include/openbabel3/LBFGS/LineSearchBacktracking.h /usr/include/openbabel3/LBFGS/LineSearchBracketing.h /usr/include/openbabel3/LBFGS/LineSearchNocedalWright.h /usr/include/openbabel3/LBFGS/Param.h /usr/include/openbabel3/openbabel /usr/include/openbabel3/openbabel/alias.h /usr/include/openbabel3/openbabel/atom.h /usr/include/openbabel3/openbabel/babelconfig.h /usr/include/openbabel3/openbabel/base.h /usr/include/openbabel3/openbabel/bitvec.h /usr/include/openbabel3/openbabel/bond.h /usr/include/openbabel3/openbabel/bondtyper.h /usr/include/openbabel3/openbabel/builder.h /usr/include/openbabel3/openbabel/canon.h /usr/include/openbabel3/openbabel/chains.h /usr/include/openbabel3/openbabel/chargemodel.h /usr/include/openbabel3/openbabel/chemdrawcdx.h /usr/include/openbabel3/openbabel/conformersearch.h /usr/include/openbabel3/openbabel/data.h /usr/include/openbabel3/openbabel/data_utilities.h /usr/include/openbabel3/openbabel/depict /usr/include/openbabel3/openbabel/depict/asciipainter.h /usr/include/openbabel3/openbabel/depict/cairopainter.h /usr/include/openbabel3/openbabel/depict/commandpainter.h /usr/include/openbabel3/openbabel/depict/depict.h /usr/include/openbabel3/openbabel/depict/painter.h /usr/include/openbabel3/openbabel/depict/svgpainter.h /usr/include/openbabel3/openbabel/descriptor.h /usr/include/openbabel3/openbabel/distgeom.h /usr/include/openbabel3/openbabel/dlhandler.h /usr/include/openbabel3/openbabel/elements.h /usr/include/openbabel3/openbabel/fingerprint.h /usr/include/openbabel3/openbabel/forcefield.h /usr/include/openbabel3/openbabel/format.h /usr/include/openbabel3/openbabel/generic.h /usr/include/openbabel3/openbabel/graphsym.h /usr/include/openbabel3/openbabel/grid.h /usr/include/openbabel3/openbabel/griddata.h /usr/include/openbabel3/openbabel/groupcontrib.h /usr/include/openbabel3/openbabel/inchiformat.h /usr/include/openbabel3/openbabel/internalcoord.h /usr/include/openbabel3/openbabel/isomorphism.h /usr/include/openbabel3/openbabel/json.h /usr/include/openbabel3/openbabel/kekulize.h /usr/include/openbabel3/openbabel/kinetics.h /usr/include/openbabel3/openbabel/lineend.h /usr/include/openbabel3/openbabel/locale.h /usr/include/openbabel3/openbabel/math /usr/include/openbabel3/openbabel/math/align.h /usr/include/openbabel3/openbabel/math/erf.h /usr/include/openbabel3/openbabel/math/matrix3x3.h /usr/include/openbabel3/openbabel/math/spacegroup.h /usr/include/openbabel3/openbabel/math/transform3d.h /usr/include/openbabel3/openbabel/math/vector3.h /usr/include/openbabel3/openbabel/matrix.h /usr/include/openbabel3/openbabel/mcdlutil.h /usr/include/openbabel3/openbabel/mol.h /usr/include/openbabel3/openbabel/molchrg.h /usr/include/openbabel3/openbabel/obconversion.h /usr/include/openbabel3/openbabel/oberror.h /usr/include/openbabel3/openbabel/obfunctions.h /usr/include/openbabel3/openbabel/obiter.h /usr/include/openbabel3/openbabel/obmolecformat.h /usr/include/openbabel3/openbabel/obutil.h /usr/include/openbabel3/openbabel/op.h /usr/include/openbabel3/openbabel/optransform.h /usr/include/openbabel3/openbabel/parsmart.h /usr/include/openbabel3/openbabel/patty.h /usr/include/openbabel3/openbabel/phmodel.h /usr/include/openbabel3/openbabel/plugin.h /usr/include/openbabel3/openbabel/pointgroup.h /usr/include/openbabel3/openbabel/query.h /usr/include/openbabel3/openbabel/reaction.h /usr/include/openbabel3/openbabel/reactionfacade.h /usr/include/openbabel3/openbabel/residue.h /usr/include/openbabel3/openbabel/ring.h /usr/include/openbabel3/openbabel/rotamer.h /usr/include/openbabel3/openbabel/rotor.h /usr/include/openbabel3/openbabel/shared_ptr.h /usr/include/openbabel3/openbabel/spectrophore.h /usr/include/openbabel3/openbabel/stereo /usr/include/openbabel3/openbabel/stereo/bindings.h /usr/include/openbabel3/openbabel/stereo/cistrans.h /usr/include/openbabel3/openbabel/stereo/squareplanar.h /usr/include/openbabel3/openbabel/stereo/stereo.h /usr/include/openbabel3/openbabel/stereo/tetrahedral.h /usr/include/openbabel3/openbabel/stereo/tetranonplanar.h /usr/include/openbabel3/openbabel/stereo/tetraplanar.h /usr/include/openbabel3/openbabel/tautomer.h /usr/include/openbabel3/openbabel/text.h /usr/include/openbabel3/openbabel/tokenst.h /usr/include/openbabel3/openbabel/typer.h /usr/include/openbabel3/openbabel/xml.h /usr/lib64/cmake/openbabel3 /usr/lib64/cmake/openbabel3/OpenBabel3Config.cmake /usr/lib64/cmake/openbabel3/OpenBabel3ConfigVersion.cmake /usr/lib64/cmake/openbabel3/OpenBabel3_EXPORTS-relwithdebinfo.cmake /usr/lib64/cmake/openbabel3/OpenBabel3_EXPORTS.cmake /usr/lib64/libopenbabel.so /usr/lib64/pkgconfig/openbabel-3.pc
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