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Name: libAvogadro1 | Distribution: openSUSE Tumbleweed |
Version: 1.98.1 | Vendor: openSUSE |
Release: 2.2 | Build date: Wed Mar 20 17:45:50 2024 |
Group: Unspecified | Build host: reproducible |
Size: 3666009 | Source RPM: avogadrolibs-1.98.1-2.2.src.rpm |
Packager: http://bugs.opensuse.org | |
Url: https://two.avogadro.cc/ | |
Summary: Avogadro libraries for computational chemistry |
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
* 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. * Mon Aug 30 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 2021 Dirk Stoecker <opensuse@dstoecker.de> - Move non-library stuff into it's own package again * Wed Aug 18 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 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 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
/usr/lib/libAvogadroCalc.so.1 /usr/lib/libAvogadroCalc.so.1.98.1 /usr/lib/libAvogadroCore.so.1 /usr/lib/libAvogadroCore.so.1.98.1 /usr/lib/libAvogadroIO.so.1 /usr/lib/libAvogadroIO.so.1.98.1 /usr/lib/libAvogadroMoleQueue.so.1 /usr/lib/libAvogadroMoleQueue.so.1.98.1 /usr/lib/libAvogadroQtGui.so.1 /usr/lib/libAvogadroQtGui.so.1.98.1 /usr/lib/libAvogadroQtOpenGL.so.1 /usr/lib/libAvogadroQtOpenGL.so.1.98.1 /usr/lib/libAvogadroQtPlugins.so.1 /usr/lib/libAvogadroQtPlugins.so.1.98.1 /usr/lib/libAvogadroQuantumIO.so.1 /usr/lib/libAvogadroQuantumIO.so.1.98.1 /usr/lib/libAvogadroRendering.so.1 /usr/lib/libAvogadroRendering.so.1.98.1 /usr/share/licenses/libAvogadro1 /usr/share/licenses/libAvogadro1/LICENSE
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Fabrice Bellet, Tue Nov 12 00:56:02 2024