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| Name: python3-openbabel | Distribution: openSUSE Tumbleweed |
| Version: 3.1.1 | Vendor: openSUSE |
| Release: 2.7 | Build date: Tue Jul 18 10:29:25 2023 |
| Group: Productivity/Scientific/Chemistry | Build host: reproducible |
| Size: 3021043 | Source RPM: openbabel-3.1.1-2.7.src.rpm |
| Packager: http://bugs.opensuse.org | |
| Url: https://openbabel.org | |
| Summary: Python bindings for 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. This package contains the Python bindings of Open Babel.
GPL-2.0-only
* 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
* 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
/usr/lib/python3.11/site-packages /usr/lib/python3.11/site-packages/openbabel /usr/lib/python3.11/site-packages/openbabel/__init__.py /usr/lib/python3.11/site-packages/openbabel/_openbabel.so /usr/lib/python3.11/site-packages/openbabel/openbabel.py /usr/lib/python3.11/site-packages/openbabel/pybel.py
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Fabrice Bellet, Tue Nov 19 00:56:05 2024