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| Name: avogadrolibs-devel | Distribution: openSUSE Tumbleweed |
| Version: 1.98.1 | Vendor: openSUSE |
| Release: 2.1 | Build date: Wed Mar 20 17:45:50 2024 |
| Group: Unspecified | Build host: reproducible |
| Size: 729370 | Source RPM: avogadrolibs-1.98.1-2.1.src.rpm |
| Packager: http://bugs.opensuse.org | |
| Url: https://two.avogadro.cc/ | |
| Summary: Header files for Avogadro libraries | |
Header files for Avogadro libraries.
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/include/avogadro /usr/include/avogadro/calc /usr/include/avogadro/calc/avogadrocalcexport.h /usr/include/avogadro/calc/chargemanager.h /usr/include/avogadro/calc/chargemodel.h /usr/include/avogadro/calc/defaultmodel.h /usr/include/avogadro/calc/energycalculator.h /usr/include/avogadro/calc/energymanager.h /usr/include/avogadro/calc/lennardjones.h /usr/include/avogadro/core /usr/include/avogadro/core/angleiterator.h /usr/include/avogadro/core/angletools.h /usr/include/avogadro/core/array.h /usr/include/avogadro/core/atom.h /usr/include/avogadro/core/atomtyper-inline.h /usr/include/avogadro/core/atomtyper.h /usr/include/avogadro/core/atomutilities.h /usr/include/avogadro/core/avogadrocore.h /usr/include/avogadro/core/avogadrocoreexport.h /usr/include/avogadro/core/avospglib.h /usr/include/avogadro/core/basisset.h /usr/include/avogadro/core/bond.h /usr/include/avogadro/core/color3f.h /usr/include/avogadro/core/coordinateblockgenerator.h /usr/include/avogadro/core/coordinateset.h /usr/include/avogadro/core/crystaltools.h /usr/include/avogadro/core/cube.h /usr/include/avogadro/core/dihedraliterator.h /usr/include/avogadro/core/elements.h /usr/include/avogadro/core/gaussianset.h /usr/include/avogadro/core/gaussiansettools.h /usr/include/avogadro/core/graph.h /usr/include/avogadro/core/layer.h /usr/include/avogadro/core/layermanager.h /usr/include/avogadro/core/matrix.h /usr/include/avogadro/core/mesh.h /usr/include/avogadro/core/molecule.h /usr/include/avogadro/core/mutex.h /usr/include/avogadro/core/nameatomtyper.h /usr/include/avogadro/core/neighborperceiver.h /usr/include/avogadro/core/residue.h /usr/include/avogadro/core/ringperceiver.h /usr/include/avogadro/core/secondarystructure.h /usr/include/avogadro/core/sharedmutex.h /usr/include/avogadro/core/slaterset.h /usr/include/avogadro/core/slatersettools.h /usr/include/avogadro/core/spacegroups.h /usr/include/avogadro/core/symbolatomtyper.h /usr/include/avogadro/core/types.h /usr/include/avogadro/core/unitcell.h /usr/include/avogadro/core/utilities.h /usr/include/avogadro/core/variant-inline.h /usr/include/avogadro/core/variant.h /usr/include/avogadro/core/variantmap.h /usr/include/avogadro/core/vector.h /usr/include/avogadro/core/version.h /usr/include/avogadro/io /usr/include/avogadro/io/avogadroioexport.h /usr/include/avogadro/io/cjsonformat.h /usr/include/avogadro/io/cmlformat.h /usr/include/avogadro/io/dcdformat.h /usr/include/avogadro/io/fileformat.h /usr/include/avogadro/io/fileformatmanager.h /usr/include/avogadro/io/gromacsformat.h /usr/include/avogadro/io/hdf5dataformat.h /usr/include/avogadro/io/lammpsformat.h /usr/include/avogadro/io/mdlformat.h /usr/include/avogadro/io/mmtfformat.h /usr/include/avogadro/io/pdbformat.h /usr/include/avogadro/io/trrformat.h /usr/include/avogadro/io/turbomoleformat.h /usr/include/avogadro/io/vaspformat.h /usr/include/avogadro/io/xyzformat.h /usr/include/avogadro/molequeue /usr/include/avogadro/molequeue/avogadromolequeueexport.h /usr/include/avogadro/molequeue/batchjob.h /usr/include/avogadro/molequeue/inputgenerator.h /usr/include/avogadro/molequeue/inputgeneratordialog.h /usr/include/avogadro/molequeue/inputgeneratorwidget.h /usr/include/avogadro/molequeue/molequeuedialog.h /usr/include/avogadro/molequeue/molequeuemanager.h /usr/include/avogadro/molequeue/molequeuequeuelistmodel.h /usr/include/avogadro/molequeue/molequeuewidget.h /usr/include/avogadro/qtgui /usr/include/avogadro/qtgui/avogadroqtguiexport.h /usr/include/avogadro/qtgui/backgroundfileformat.h /usr/include/avogadro/qtgui/colorbutton.h /usr/include/avogadro/qtgui/containerwidget.h /usr/include/avogadro/qtgui/customelementdialog.h /usr/include/avogadro/qtgui/elementtranslator.h /usr/include/avogadro/qtgui/extensionplugin.h /usr/include/avogadro/qtgui/filebrowsewidget.h /usr/include/avogadro/qtgui/fileformatdialog.h /usr/include/avogadro/qtgui/generichighlighter.h /usr/include/avogadro/qtgui/hydrogentools.h /usr/include/avogadro/qtgui/interfacescript.h /usr/include/avogadro/qtgui/interfacewidget.h /usr/include/avogadro/qtgui/jsonwidget.h /usr/include/avogadro/qtgui/layermodel.h /usr/include/avogadro/qtgui/meshgenerator.h /usr/include/avogadro/qtgui/molecule.h /usr/include/avogadro/qtgui/moleculemodel.h /usr/include/avogadro/qtgui/multiviewwidget.h /usr/include/avogadro/qtgui/periodictableview.h /usr/include/avogadro/qtgui/persistentatom.h /usr/include/avogadro/qtgui/persistentbond.h /usr/include/avogadro/qtgui/pluginlayermanager.h /usr/include/avogadro/qtgui/pythonscript.h /usr/include/avogadro/qtgui/rwlayermanager.h /usr/include/avogadro/qtgui/rwmolecule.h /usr/include/avogadro/qtgui/sceneplugin.h /usr/include/avogadro/qtgui/scenepluginmodel.h /usr/include/avogadro/qtgui/scriptloader.h /usr/include/avogadro/qtgui/toolplugin.h /usr/include/avogadro/qtgui/utilities.h /usr/include/avogadro/qtgui/viewfactory.h /usr/include/avogadro/qtopengl /usr/include/avogadro/qtopengl/activeobjects.h /usr/include/avogadro/qtopengl/avogadroqtopenglexport.h /usr/include/avogadro/qtopengl/glwidget.h /usr/include/avogadro/qtopengl/qttextrenderstrategy.h /usr/include/avogadro/qtplugins /usr/include/avogadro/qtplugins/avogadroqtpluginsexport.h /usr/include/avogadro/qtplugins/avogadrostaticqtplugins.h /usr/include/avogadro/qtplugins/pluginfactory.h /usr/include/avogadro/qtplugins/pluginmanager.h /usr/include/avogadro/quantumio /usr/include/avogadro/quantumio/avogadroquantumioexport.h /usr/include/avogadro/quantumio/gamessus.h /usr/include/avogadro/quantumio/gaussiancube.h /usr/include/avogadro/quantumio/gaussianfchk.h /usr/include/avogadro/quantumio/genericoutput.h /usr/include/avogadro/quantumio/molden.h /usr/include/avogadro/quantumio/mopacaux.h /usr/include/avogadro/quantumio/nwchemjson.h /usr/include/avogadro/quantumio/nwchemlog.h /usr/include/avogadro/quantumio/orca.h /usr/include/avogadro/rendering /usr/include/avogadro/rendering/arcsector.h /usr/include/avogadro/rendering/arcstrip.h /usr/include/avogadro/rendering/arrowgeometry.h /usr/include/avogadro/rendering/avogadrogl.h /usr/include/avogadro/rendering/avogadrorendering.h /usr/include/avogadro/rendering/avogadrorenderingexport.h /usr/include/avogadro/rendering/beziergeometry.h /usr/include/avogadro/rendering/bsplinegeometry.h /usr/include/avogadro/rendering/bufferobject.h /usr/include/avogadro/rendering/camera.h /usr/include/avogadro/rendering/cartoongeometry.h /usr/include/avogadro/rendering/curvegeometry.h /usr/include/avogadro/rendering/cylindergeometry.h /usr/include/avogadro/rendering/dashedlinegeometry.h /usr/include/avogadro/rendering/drawable.h /usr/include/avogadro/rendering/geometrynode.h /usr/include/avogadro/rendering/geometryvisitor.h /usr/include/avogadro/rendering/glrenderer.h /usr/include/avogadro/rendering/glrendervisitor.h /usr/include/avogadro/rendering/groupnode.h /usr/include/avogadro/rendering/linestripgeometry.h /usr/include/avogadro/rendering/meshgeometry.h /usr/include/avogadro/rendering/node.h /usr/include/avogadro/rendering/plyvisitor.h /usr/include/avogadro/rendering/povrayvisitor.h /usr/include/avogadro/rendering/primitive.h /usr/include/avogadro/rendering/quad.h /usr/include/avogadro/rendering/quadoutline.h /usr/include/avogadro/rendering/scene.h /usr/include/avogadro/rendering/shader.h /usr/include/avogadro/rendering/shaderprogram.h /usr/include/avogadro/rendering/solidpipeline.h /usr/include/avogadro/rendering/spheregeometry.h /usr/include/avogadro/rendering/textlabel2d.h /usr/include/avogadro/rendering/textlabel3d.h /usr/include/avogadro/rendering/textlabelbase.h /usr/include/avogadro/rendering/textproperties.h /usr/include/avogadro/rendering/textrenderstrategy.h /usr/include/avogadro/rendering/texture2d.h /usr/include/avogadro/rendering/transformnode.h /usr/include/avogadro/rendering/visitor.h /usr/include/avogadro/rendering/volumegeometry.h /usr/include/avogadro/rendering/vrmlvisitor.h /usr/lib/cmake/avogadrolibs /usr/lib/cmake/avogadrolibs/AvogadroLibsConfig.cmake /usr/lib/cmake/avogadrolibs/AvogadroLibsConfigVersion.cmake /usr/lib/cmake/avogadrolibs/AvogadroLibsTargets-relwithdebinfo.cmake /usr/lib/cmake/avogadrolibs/AvogadroLibsTargets.cmake /usr/lib/cmake/avogadrolibs/FindEigen3.cmake /usr/lib/cmake/avogadrolibs/Findlibmsym.cmake /usr/lib/libAvogadroCalc.so /usr/lib/libAvogadroCore.so /usr/lib/libAvogadroIO.so /usr/lib/libAvogadroMoleQueue.so /usr/lib/libAvogadroQtGui.so /usr/lib/libAvogadroQtOpenGL.so /usr/lib/libAvogadroQtPlugins.so /usr/lib/libAvogadroQuantumIO.so /usr/lib/libAvogadroRendering.so /usr/share/doc/packages/avogadrolibs /usr/share/doc/packages/avogadrolibs/CONTRIBUTING.md /usr/share/doc/packages/avogadrolibs/README.md
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