Changelog for
avogadrolibs-devel-1.98.1-2.2.x86_64.rpm :
* Wed Mar 20 2024 Lubos Kocman
- Update licenses based on legaldb scan
* Wed Dec 06 2023 Atri Bhattacharya - 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 - 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 - 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 - Workaround for Arm/openGL ES, until overlayaxes fixed upstream https://github.com/OpenChemistry/avogadrolibs/issues/810
* Thu Oct 14 2021 ecsos - 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.
* Mon Aug 30 2021 Ferdinand Thiessen - Update to version 1.95.0
* Update render options for Wireframe and Ball-and-Sticks
* Use MMTF downloads - more efficient than PDB format
* Add back support for importing crystals
* Add CJSON support for save/load residues and atom colors
* Detect secondary structure from residues / backbones
* Remove dependency on MoleQueue (bundled...)
* Export to SVG
* OpenMM script builder plugin
* Allow manipulate to rotate selected fragments
* Add bestFitPlane on Molecule
* Transparent support for ASE \"extended XYZ\" files
* Switch Open Babel calls to use CML and non-local numeric format
* Save background color across sessions and set bg alpha for export
* Add support for a JSON list of selected atoms
* Update example Avogadro RPC script
* Fix several crashes with proteins
* Fix crash in CJSON reading file without labels
* Fix bug deleting selected atoms- Add molecules and crystals data files as source, as downloading on build time is not possible on OBS- Drop upstream merged avogadrolibs-spglib-includes.patch- Split data molecules and crystals data into avogadro2-data package and seperated plugins into plugins subpackage
* Sat Aug 21 2021 Dirk Stoecker - Move non-library stuff into it\'s own package again
* Wed Aug 18 2021 Atri Bhattacharya - Add avogadrolibs-spglib-includes.patch -- Correct spglib includes according to the location spglib headers are installed to on openSUSE, which is directly inside %%_includedir.
* Wed Aug 18 2021 Ferdinand Thiessen - As Factory switched from Avagadro 1 to 2, make factory bot happy as patches Fix-build-with-Qt-511.patch, fix-linking-issues.patch, fix-gcc-version-check.patch, 0002-create-soversion-libs.patch, and use-system-libjsoncpp.patch from old package are not present in this package.
* Wed May 26 2021 Ferdinand Thiessen - Update to version 1.93.1
* Add support for a JSON list of selected atoms
* Add support for only clearing selected atoms
* Fix invalid cmake files
* Fix build with HDF5 >= 1.12.0
* Fix problems with large molecule
* Update translations- Enable building with MoleQueue, mmtf and libmsym they are already in Factory and science repository- Split python into seperate package- Add not-install-gwavi.patch- Drop upstream fixed fix_libgwavi_linking.patch
