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| Name: avogadro2-data | Distribution: SUSE Linux Enterprise 15 SP6 |
| Version: 1.98.1 | Vendor: openSUSE |
| Release: bp156.1.1 | Build date: Wed Mar 20 17:58:12 2024 |
| Group: Unspecified | Build host: h02-ch2d |
| Size: 75494940 | Source RPM: avogadrolibs-1.98.1-bp156.1.1.src.rpm |
| Packager: https://bugs.opensuse.org | |
| Url: https://two.avogadro.cc/ | |
| Summary: Data files for Avogadro2 and Avogadro2libs | |
This package contains: * Crystallographic files of common materials, elements, oxides, for visualization in Avogadro. * Common molecule fragments for visualization in Avogadro
BSD-3-Clause
* 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
* Wed Feb 12 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 03 2018 christophe@krop.fr
- Add Fix-build-with-Qt-511.patch to fix build with Qt 5.11.
* Mon Oct 30 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 2017 wbauer@tmo.at
- Disable building the GPL-licensed plugins
* Mon Feb 06 2017 jengelh@inai.de
- Choose an *unambiguous* SONAME for shared library as per
guidelines
* Tue Nov 29 2016 wbauer@tmo.at
- disable molequeue support
- add missing pkgconfig(Qt5Network) BuildRequires
* Mon Nov 28 2016 tittiatcoke@gmail.com
- Update to 0.9.0
No Changelog available
* Mon Dec 22 2014 alinm.elena@gmail.com
- initial commit
/usr/share/avogadro2 /usr/share/avogadro2/crystals /usr/share/avogadro2/crystals/README.md /usr/share/avogadro2/crystals/antimonides /usr/share/avogadro2/crystals/antimonides/AlSb.cif /usr/share/avogadro2/crystals/antimonides/AlSb.png /usr/share/avogadro2/crystals/antimonides/GaSb.cif /usr/share/avogadro2/crystals/antimonides/GaSb.png /usr/share/avogadro2/crystals/antimonides/InSb.cif /usr/share/avogadro2/crystals/antimonides/InSb.png /usr/share/avogadro2/crystals/arsenides /usr/share/avogadro2/crystals/arsenides/AlAs.cif /usr/share/avogadro2/crystals/arsenides/AlAs.png /usr/share/avogadro2/crystals/arsenides/BAs.cif /usr/share/avogadro2/crystals/arsenides/BAs.png /usr/share/avogadro2/crystals/arsenides/Co.87Fe.11Ni.13As3-Skutterudite.cif /usr/share/avogadro2/crystals/arsenides/Co.87Fe.11Ni.13As3-Skutterudite.png /usr/share/avogadro2/crystals/arsenides/CoAs3-Skutterudite.cif /usr/share/avogadro2/crystals/arsenides/CoAs3-Skutterudite.png /usr/share/avogadro2/crystals/arsenides/GaAs.cif /usr/share/avogadro2/crystals/arsenides/GaAs.png /usr/share/avogadro2/crystals/arsenides/InAs.cif /usr/share/avogadro2/crystals/arsenides/InAs.png /usr/share/avogadro2/crystals/arsenides/NiAs-Nickeline.cif /usr/share/avogadro2/crystals/arsenides/NiAs-Nickeline.png /usr/share/avogadro2/crystals/carbides /usr/share/avogadro2/crystals/carbides/SiC-2H-Moissanite.cif /usr/share/avogadro2/crystals/carbides/SiC-2H-Moissanite.png /usr/share/avogadro2/crystals/carbides/SiC-3C-beta.cif /usr/share/avogadro2/crystals/carbides/SiC-3C-beta.png /usr/share/avogadro2/crystals/carbides/SiC-6H-alpha.cif /usr/share/avogadro2/crystals/carbides/SiC-6H-alpha.png /usr/share/avogadro2/crystals/carbides/SiC-Moissanite.cif /usr/share/avogadro2/crystals/carbides/SiC-Moissanite.png /usr/share/avogadro2/crystals/carbides/SiC.cif /usr/share/avogadro2/crystals/carbides/SiC.png /usr/share/avogadro2/crystals/carbides/W2C.cif /usr/share/avogadro2/crystals/carbides/W2C.png /usr/share/avogadro2/crystals/carbides/WC.cif /usr/share/avogadro2/crystals/carbides/WC.png /usr/share/avogadro2/crystals/carbonates /usr/share/avogadro2/crystals/carbonates/CaCO3-Calcite.cif /usr/share/avogadro2/crystals/carbonates/CaCO3-Calcite.png /usr/share/avogadro2/crystals/carbonates/CaMgC2O6-Dolomite.cif /usr/share/avogadro2/crystals/carbonates/CaMgC2O6-Dolomite.png /usr/share/avogadro2/crystals/carbonates/FeCO3-Siderte.cif /usr/share/avogadro2/crystals/carbonates/FeCO3-Siderte.png /usr/share/avogadro2/crystals/carbonates/Li2CO3-Zabuyelite.cif /usr/share/avogadro2/crystals/carbonates/Li2CO3-Zabuyelite.png /usr/share/avogadro2/crystals/carbonates/MgCO3-Magnesite.cif /usr/share/avogadro2/crystals/carbonates/MgCO3-Magnesite.png /usr/share/avogadro2/crystals/carbonates/Na2CO3-Natrite.cif /usr/share/avogadro2/crystals/carbonates/Na2CO3-Natrite.png /usr/share/avogadro2/crystals/carbonates/NaHCO3-Nahcolite.cif /usr/share/avogadro2/crystals/carbonates/NaHCO3-Nahcolite.png /usr/share/avogadro2/crystals/clays /usr/share/avogadro2/crystals/clays/Al2Si2O9H4-Dickite.cif /usr/share/avogadro2/crystals/clays/Al2Si2O9H4-Dickite.png /usr/share/avogadro2/crystals/clays/Al2Si2O9H4-Kaolinite.cif /usr/share/avogadro2/crystals/clays/Al2Si2O9H4-Kaolinite.png /usr/share/avogadro2/crystals/clays/Al2Si2O9H4-Nacrite.cif /usr/share/avogadro2/crystals/clays/Al2Si2O9H4-Nacrite.png /usr/share/avogadro2/crystals/clays/Al2Si4O12Ca0.5-Montmorillonite.cif /usr/share/avogadro2/crystals/clays/Al2Si4O12Ca0.5-Montmorillonite.png /usr/share/avogadro2/crystals/clays/Al4KSi2O12-Illite.cif /usr/share/avogadro2/crystals/clays/Al4KSi2O12-Illite.png /usr/share/avogadro2/crystals/clays/Fe2.25Cl0.5H2.75-Fougerite.cif /usr/share/avogadro2/crystals/clays/Fe2.25Cl0.5H2.75-Fougerite.png /usr/share/avogadro2/crystals/clays/FeSi2O6H-Nontronite.cif /usr/share/avogadro2/crystals/clays/FeSi2O6H-Nontronite.png /usr/share/avogadro2/crystals/clays/Lepidolite.cif /usr/share/avogadro2/crystals/clays/Lepidolite.png /usr/share/avogadro2/crystals/clays/Mg3(O12Si4)H2-Vermiculite.cif /usr/share/avogadro2/crystals/clays/Mg3(O12Si4)H2-Vermiculite.png /usr/share/avogadro2/crystals/clays/Mg4Si6O22.82H13.64-Sepiolite.cif /usr/share/avogadro2/crystals/clays/Mg4Si6O22.82H13.64-Sepiolite.png /usr/share/avogadro2/crystals/clays/Mn1.854Fe1.656Mg0.537Si0.953O9H4-Guidottiite.cif /usr/share/avogadro2/crystals/clays/Mn1.854Fe1.656Mg0.537Si0.953O9H4-Guidottiite.png /usr/share/avogadro2/crystals/clays/Zn2SiO5H2-Hemimorphite.cif /usr/share/avogadro2/crystals/clays/Zn2SiO5H2-Hemimorphite.png /usr/share/avogadro2/crystals/elements /usr/share/avogadro2/crystals/elements/Ac-Actinium.cif /usr/share/avogadro2/crystals/elements/Ac-Actinium.png /usr/share/avogadro2/crystals/elements/Ag-Silver.cif /usr/share/avogadro2/crystals/elements/Ag-Silver.png /usr/share/avogadro2/crystals/elements/Al-Aluminum.cif /usr/share/avogadro2/crystals/elements/Al-Aluminum.png /usr/share/avogadro2/crystals/elements/Am-Americium.cif /usr/share/avogadro2/crystals/elements/Am-Americium.png /usr/share/avogadro2/crystals/elements/Ar-Argon.cif /usr/share/avogadro2/crystals/elements/Ar-Argon.png /usr/share/avogadro2/crystals/elements/As-Arsenic.cif /usr/share/avogadro2/crystals/elements/As-Arsenic.png /usr/share/avogadro2/crystals/elements/As-Arsenolamprite.cif /usr/share/avogadro2/crystals/elements/As-Arsenolamprite.png /usr/share/avogadro2/crystals/elements/Au-Gold.cif /usr/share/avogadro2/crystals/elements/Au-Gold.png /usr/share/avogadro2/crystals/elements/B-Boron.cif /usr/share/avogadro2/crystals/elements/B-Boron.png /usr/share/avogadro2/crystals/elements/Ba-Barium.cif /usr/share/avogadro2/crystals/elements/Ba-Barium.png /usr/share/avogadro2/crystals/elements/Be-Beryllium.cif /usr/share/avogadro2/crystals/elements/Be-Beryllium.png /usr/share/avogadro2/crystals/elements/Bi-Bismuth.cif /usr/share/avogadro2/crystals/elements/Bi-Bismuth.png /usr/share/avogadro2/crystals/elements/Br-Bromine.cif /usr/share/avogadro2/crystals/elements/Br-Bromine.png /usr/share/avogadro2/crystals/elements/C-Diamond.cif /usr/share/avogadro2/crystals/elements/C-Diamond.png /usr/share/avogadro2/crystals/elements/C-Graphite.cif /usr/share/avogadro2/crystals/elements/C-Graphite.png /usr/share/avogadro2/crystals/elements/C-Lonsdaleite.cif /usr/share/avogadro2/crystals/elements/C-Lonsdaleite.png /usr/share/avogadro2/crystals/elements/Ca-Calcium-alpha.cif /usr/share/avogadro2/crystals/elements/Ca-Calcium-alpha.png /usr/share/avogadro2/crystals/elements/Ca-Calcium-beta.cif /usr/share/avogadro2/crystals/elements/Ca-Calcium-beta.png /usr/share/avogadro2/crystals/elements/Ca-Calcium-gamma.cif /usr/share/avogadro2/crystals/elements/Ca-Calcium-gamma.png /usr/share/avogadro2/crystals/elements/Cd-Cadmium.cif /usr/share/avogadro2/crystals/elements/Cd-Cadmium.png /usr/share/avogadro2/crystals/elements/Ce-Cerium.cif /usr/share/avogadro2/crystals/elements/Ce-Cerium.png /usr/share/avogadro2/crystals/elements/Cl-Chlorine.cif /usr/share/avogadro2/crystals/elements/Cl-Chlorine.png /usr/share/avogadro2/crystals/elements/Co-Cobalt.cif /usr/share/avogadro2/crystals/elements/Co-Cobalt.png /usr/share/avogadro2/crystals/elements/Cr-Chromium.cif /usr/share/avogadro2/crystals/elements/Cr-Chromium.png /usr/share/avogadro2/crystals/elements/Cs-Cesium.cif /usr/share/avogadro2/crystals/elements/Cs-Cesium.png /usr/share/avogadro2/crystals/elements/Cu-Copper.cif /usr/share/avogadro2/crystals/elements/Cu-Copper.png /usr/share/avogadro2/crystals/elements/Dy-Dysprosium.cif /usr/share/avogadro2/crystals/elements/Dy-Dysprosium.png /usr/share/avogadro2/crystals/elements/Er-Erbium.cif /usr/share/avogadro2/crystals/elements/Er-Erbium.png /usr/share/avogadro2/crystals/elements/Eu-Europium.cif /usr/share/avogadro2/crystals/elements/Eu-Europium.png /usr/share/avogadro2/crystals/elements/Fe-Iron-alpha.cif /usr/share/avogadro2/crystals/elements/Fe-Iron-alpha.png /usr/share/avogadro2/crystals/elements/Fe-Iron-beta.cif /usr/share/avogadro2/crystals/elements/Fe-Iron-beta.png /usr/share/avogadro2/crystals/elements/Fe-Iron-delta.cif /usr/share/avogadro2/crystals/elements/Fe-Iron-delta.png /usr/share/avogadro2/crystals/elements/Fe-Iron-gamma.cif /usr/share/avogadro2/crystals/elements/Fe-Iron-gamma.png /usr/share/avogadro2/crystals/elements/Ga-Gallium.cif /usr/share/avogadro2/crystals/elements/Ga-Gallium.png /usr/share/avogadro2/crystals/elements/Gd-Gadolinium.cif /usr/share/avogadro2/crystals/elements/Gd-Gadolinium.png /usr/share/avogadro2/crystals/elements/Ge-Germanium.cif /usr/share/avogadro2/crystals/elements/Ge-Germanium.png /usr/share/avogadro2/crystals/elements/He-Helium.cif /usr/share/avogadro2/crystals/elements/He-Helium.png /usr/share/avogadro2/crystals/elements/Hf-Hafnium.cif /usr/share/avogadro2/crystals/elements/Hf-Hafnium.png /usr/share/avogadro2/crystals/elements/Ho-Holmium.cif /usr/share/avogadro2/crystals/elements/Ho-Holmium.png /usr/share/avogadro2/crystals/elements/I-Iodine.cif /usr/share/avogadro2/crystals/elements/I-Iodine.png /usr/share/avogadro2/crystals/elements/In-Indium.cif /usr/share/avogadro2/crystals/elements/In-Indium.png /usr/share/avogadro2/crystals/elements/Ir-Iridium.cif /usr/share/avogadro2/crystals/elements/Ir-Iridium.png /usr/share/avogadro2/crystals/elements/K-Potassium.cif /usr/share/avogadro2/crystals/elements/K-Potassium.png /usr/share/avogadro2/crystals/elements/Kr-Krypton.cif /usr/share/avogadro2/crystals/elements/Kr-Krypton.png /usr/share/avogadro2/crystals/elements/La-Lanthanum.cif /usr/share/avogadro2/crystals/elements/La-Lanthanum.png /usr/share/avogadro2/crystals/elements/Li-Lithium.cif /usr/share/avogadro2/crystals/elements/Li-Lithium.png /usr/share/avogadro2/crystals/elements/Lu-Lutetium.cif /usr/share/avogadro2/crystals/elements/Lu-Lutetium.png /usr/share/avogadro2/crystals/elements/Mg-Magnesium.cif /usr/share/avogadro2/crystals/elements/Mg-Magnesium.png /usr/share/avogadro2/crystals/elements/Mn-Manganese-alpha.cif /usr/share/avogadro2/crystals/elements/Mn-Manganese-alpha.png /usr/share/avogadro2/crystals/elements/Mn-Manganese-delta.cif /usr/share/avogadro2/crystals/elements/Mn-Manganese-delta.png /usr/share/avogadro2/crystals/elements/Mn-Manganese-gamma.cif /usr/share/avogadro2/crystals/elements/Mn-Manganese-gamma.png /usr/share/avogadro2/crystals/elements/Mo-Molybdenum.cif /usr/share/avogadro2/crystals/elements/Mo-Molybdenum.png /usr/share/avogadro2/crystals/elements/N-Nitrogen.cif /usr/share/avogadro2/crystals/elements/N-Nitrogen.png /usr/share/avogadro2/crystals/elements/Na-Sodium.cif /usr/share/avogadro2/crystals/elements/Na-Sodium.png /usr/share/avogadro2/crystals/elements/Nb-Niobium.cif /usr/share/avogadro2/crystals/elements/Nb-Niobium.png /usr/share/avogadro2/crystals/elements/Nd-Neodymium.cif /usr/share/avogadro2/crystals/elements/Nd-Neodymium.png /usr/share/avogadro2/crystals/elements/Ne-Neon.cif /usr/share/avogadro2/crystals/elements/Ne-Neon.png /usr/share/avogadro2/crystals/elements/Ni-Nickel.cif /usr/share/avogadro2/crystals/elements/Ni-Nickel.png /usr/share/avogadro2/crystals/elements/Np-Neptunium-alpha.cif /usr/share/avogadro2/crystals/elements/Np-Neptunium-alpha.png /usr/share/avogadro2/crystals/elements/Np-Neptunium-beta.cif /usr/share/avogadro2/crystals/elements/Np-Neptunium-beta.png /usr/share/avogadro2/crystals/elements/Np-Neptunium-gamma.cif /usr/share/avogadro2/crystals/elements/Np-Neptunium-gamma.png /usr/share/avogadro2/crystals/elements/Os-Osmium.cif /usr/share/avogadro2/crystals/elements/Os-Osmium.png /usr/share/avogadro2/crystals/elements/P-Phosphorus-black.cif /usr/share/avogadro2/crystals/elements/P-Phosphorus-black.png /usr/share/avogadro2/crystals/elements/P-Phosphorus.cif /usr/share/avogadro2/crystals/elements/P-Phosphorus.png /usr/share/avogadro2/crystals/elements/Pb-Lead.cif /usr/share/avogadro2/crystals/elements/Pb-Lead.png 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Fabrice Bellet, Fri Apr 26 23:30:45 2024