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Name: avogadro2-data | 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: 75494940 | Source RPM: avogadrolibs-1.98.1-2.2.src.rpm |
Packager: http://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 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/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 /usr/share/avogadro2/crystals/elements/Pd-Palladium.cif /usr/share/avogadro2/crystals/elements/Pd-Palladium.png /usr/share/avogadro2/crystals/elements/Pr-Praseodymium.cif /usr/share/avogadro2/crystals/elements/Pr-Praseodymium.png /usr/share/avogadro2/crystals/elements/Pt-Platinum.cif /usr/share/avogadro2/crystals/elements/Pt-Platinum.png /usr/share/avogadro2/crystals/elements/Pu-Plutonium-alpha.cif /usr/share/avogadro2/crystals/elements/Pu-Plutonium-alpha.png /usr/share/avogadro2/crystals/elements/Pu-Plutonium-epsilon.cif /usr/share/avogadro2/crystals/elements/Pu-Plutonium-epsilon.png /usr/share/avogadro2/crystals/elements/Pu-Plutonium-gamma.cif /usr/share/avogadro2/crystals/elements/Pu-Plutonium-gamma.png /usr/share/avogadro2/crystals/elements/Rb-Rubidium.cif /usr/share/avogadro2/crystals/elements/Rb-Rubidium.png /usr/share/avogadro2/crystals/elements/Re-Rhenium.cif /usr/share/avogadro2/crystals/elements/Re-Rhenium.png /usr/share/avogadro2/crystals/elements/Rh-Rhodium.cif 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Fabrice Bellet, Wed Nov 20 00:28:09 2024