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| Name: python3-avogadro | Distribution: openSUSE Tumbleweed |
| Version: 1.100.0 | Vendor: openSUSE |
| Release: 2.1 | Build date: Mon Jun 9 09:20:08 2025 |
| Group: Unspecified | Build host: reproducible |
| Size: 390555 | Source RPM: avogadrolibs-1.100.0-2.1.src.rpm |
| Packager: http://bugs.opensuse.org | |
| Url: https://two.avogadro.cc/ | |
| Summary: Python bindings for Avogadro libraries | |
Avogadro libraries provide 3D rendering, visualization, analysis and data processing useful in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.
BSD-3-Clause AND CDDL-1.0 AND GPL-3.0-or-later AND Apache-2.0
* Mon Jun 09 2025 Christophe Marin <christophe@krop.fr>
- Add upstream fix (gh#OpenChemistry/avogadrolibs#2021)
* fix-cmake-dependencies.patch
* Mon May 19 2025 Atri Bhattacharya <badshah400@gmail.com>
- Add eigen3-devel to avogadrolibs-devel Requires.
* Mon May 12 2025 Atri Bhattacharya <badshah400@gmail.com>
- Update to version 1.00.0:
* Too many changes to list, see
<https://github.com/OpenChemistry/avogadrolibs/releases/tag/1.100.0>
- Add fragments-1.99.0.tar.gz as source, needed for build.
- Switch to Qt6 for build.
- Enable testing during build and run tests as part of %check for
openSUSE > 1550 (gtest too old on 15.6 and older); add necessary
deps cmake(GTest) and cmake(Qt6Test) as BuildRequires.
- Build with system nlohmann_json, pugixml.
- Drop dependence on Molequeue (abandoned, does not build with
Qt6).
- Fix builds for Leap 15.6 after switching to Qt6 (needs gcc-c++
>= 8 for <filesystem> support).
* Thu Mar 20 2025 Shawn Dunn <sfalken@opensuse.org>
- Add -DCMAKE_POLICY_VERSION_MINIMUM=3.5 to fix FTFBS with cmake4
* Wed Mar 20 2024 Lubos Kocman <lubos.kocman@suse.com>
- Update licenses based on legaldb scan
* Wed Dec 06 2023 Atri Bhattacharya <badshah400@gmail.com>
- Update to version 1.98.1:
* Migrated typedefs and changed const to constexpr
(gh#OpenChemistry/avogadrolibs#1395).
* Fix Python module install dir
(gh#OpenChemistry/avogadrolibs#1413).
* Revert validation of filenames
(gh#OpenChemistry/avogadrolibs#1433).
* Parsing orca output would crash when swapping orbitals
(gh#OpenChemistry/avogadrolibs#1422).
* Maint: vtk: Add missing OpenGL link target
(gh#OpenChemistry/avogadrolibs#1412).
- Update molecules and crystals source tarballs to version
1.98.0.
- Drop upstreamed patches:
* Fix_qtplugins_surfaces_linking.patch
* 0001-Avoid-ambigous-definition-of-mmtf-s-is_polymer.patch.
- Minor rebase of not-install-gwavi.patch to apply cleanly.
- Remove executable permissions from scripts not installed to
$PATH and not expected to be directly executed.
- Bump cmake required version to 3.24 as required by upstream.
* Wed Dec 07 2022 Stefan Brüns <stefan.bruens@rwth-aachen.de>
- Fix build with mmtf-cpp 1.1.0, add
0001-Avoid-ambigous-definition-of-mmtf-s-is_polymer.patch
* Sun Sep 11 2022 Stefan Brüns <stefan.bruens@rwth-aachen.de>
- Update to 1.97.0
https://github.com/OpenChemistry/avogadrolibs/releases/tag/1.97.0
Highlights:
* Adds molecular surfaces, solvent-accessible, and
solvent-excluded surfaces
* Adds support for a range of partial charge models, including
coloring electrostatic potentials on surfaces.
* This includes writing Python scripts to assign atomic charges
or electrostatic potential
* Adds improved hydrogen-bond, chalcogen, and halogen bond
rendering.
* Add improved close-contact and salt-bridge rendering
* Significantly improves interface translation, properly loading
translation files, and including a dialog to choose your
preferred user interface language
- Add Fix_qtplugins_surfaces_linking.patch
* Tue Oct 19 2021 Guillaume GARDET <guillaume.gardet@opensuse.org>
- Workaround for Arm/openGL ES, until overlayaxes fixed upstream
https://github.com/OpenChemistry/avogadrolibs/issues/810
* Thu Oct 14 2021 ecsos <ecsos@opensuse.org>
- Update to 1.95.1
* Bug Fixes
- Fix disabled Balls and Sticks rendering on a fresh install (#744)
- Fix for loading settings (#732)
- Add ... to all input generators to indicate opening a dialog (#743)
- Fix reference axes menu item (#705)
- Continue rendering cartoons even if residues aren't found (#736)
- Enable script formats like cclib to ask for bond perception on read (#738)
* Features
- Initial display-only property tables (#711)
- Improve selection tool for layers (#729)
* Maintenance
- Make sure to run tests in avogadrolibs (including some fix for test failures) (#739)
* Translations
- Translations update from Weblate (#721)
- Fix build error for Leap with libmsym >= 0.2.0.
/usr/lib/python3.13/site-packages/avogadro /usr/lib/python3.13/site-packages/avogadro/__init__.py /usr/lib/python3.13/site-packages/avogadro/cjson.py /usr/lib/python3.13/site-packages/avogadro/connect.py /usr/lib/python3.13/site-packages/avogadro/core.cpython-313-arm-linux-gnueabihf.so /usr/lib/python3.13/site-packages/avogadro/io.cpython-313-arm-linux-gnueabihf.so
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Fabrice Bellet, Thu Oct 23 22:58:29 2025