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avogadrolibs
avogadrolibs.changes
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File avogadrolibs.changes of Package avogadrolibs
------------------------------------------------------------------- Wed Dec 6 10:23:54 UTC 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 7 03:55:56 UTC 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 18:39:13 UTC 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 13:08:05 UTC 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 11:32:05 UTC 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. ------------------------------------------------------------------- Mon Aug 30 09:00:55 UTC 2021 - Ferdinand Thiessen <rpm@fthiessen.de> - 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 11:32:55 UTC 2021 - Dirk Stoecker <opensuse@dstoecker.de> - Move non-library stuff into it's own package again ------------------------------------------------------------------- Wed Aug 18 12:05:15 UTC 2021 - Atri Bhattacharya <badshah400@gmail.com> - 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 06:36:23 UTC 2021 - Ferdinand Thiessen <rpm@fthiessen.de> - 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 09:49:41 UTC 2021 - Ferdinand Thiessen <rpm@fthiessen.de> - 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 ------------------------------------------------------------------- Wed Feb 12 20:45:21 UTC 2020 - Stefan Brüns <stefan.bruens@rwth-aachen.de> - initial version of Avogadro 2 libs - Fix linking when using BUILD_STATIC_PLUGINS=OFF fix_libgwavi_linking.patch ------------------------------------------------------------------- Sun Jun 3 18:02:51 UTC 2018 - christophe@krop.fr - Add Fix-build-with-Qt-511.patch to fix build with Qt 5.11. ------------------------------------------------------------------- Mon Oct 30 07:17:57 UTC 2017 - fstrba@suse.com - Remove the dependency on java-1_8_0-openjdk-devel, since Java is apparently not used during the build at all - Run spec cleaner ------------------------------------------------------------------- Sat Mar 11 04:10:59 UTC 2017 - wbauer@tmo.at - Disable building the GPL-licensed plugins ------------------------------------------------------------------- Mon Feb 6 12:17:34 UTC 2017 - jengelh@inai.de - Choose an *unambiguous* SONAME for shared library as per guidelines ------------------------------------------------------------------- Tue Nov 29 21:13:09 UTC 2016 - wbauer@tmo.at - disable molequeue support - add missing pkgconfig(Qt5Network) BuildRequires ------------------------------------------------------------------- Mon Nov 28 09:00:40 UTC 2016 - tittiatcoke@gmail.com - Update to 0.9.0 No Changelog available ------------------------------------------------------------------- Mon Dec 22 17:36:40 UTC 2014 - alinm.elena@gmail.com - initial commit
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