avogadrolibs

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 License

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avogadrolibs - Avogadro 1.98.1

Published by ghutchis 12 months ago

This is a bug-fix release, particularly for Windows users, removing a filename filter that affected opening and saving files.

This also includes the openbabel-3.dll which was left out of Windows releases.

🐛 Bug Fixes

  • Make sure to grab openbabel*.dll on Windows package @ghutchis
  • Migrated typedefs and changed const to constexpr @Atharva-Kanherkar (#1395)
  • Fix Python module install dir @antonio-rojas (#1413)
  • Revert validation of filenames. @ghutchis (#1433)
  • Parsing orca output would crash when swapping orbitals @ghutchis (#1422)

🧰 Maintenance

  • Add workflow concurrency - should stop builds during quick changes @ghutchis (#1418)
  • vtk: Add missing OpenGL link target @antonio-rojas (#1412)

📚 Translations

  • Translations update from Hosted Weblate @weblate (#1425)
  • Automated translation updates @github-actions (#1424)

Credits

Thanks to many contributors, including: @Atharva-Kanherkar, @antonio-rojas, @atharrrva15, @ghutchis, @github-actions, @ovari, @weblate, Alejandro Díaz-Moscoso and Martin Slavík

avogadrolibs - Avogadro 1.95.1

Published by ghutchis about 3 years ago

This release fixes several bugs in the recent 1.95.0 release and is recommended for all users.

Thanks to @drew-parsons and @yurivict for prompt bug reports!

🐛 Bug Fixes

  • Fix disabled "Balls and Sticks" rendering on a fresh install @serk12 (#744)
  • Fix for loading settings @serk12 (#732)
  • Add "..." to all input generators to indicate opening a dialog @ghutchis (#743)
  • Fix reference axes menu item @ghutchis (#705)
  • Continue rendering cartoons even if residues aren't found @ghutchis (#736)
  • Enable script formats like cclib to ask for bond perception on read @ghutchis (#738)

✨ Features

  • Initial display-only property tables @ghutchis (#711)
  • Improve selection tool for layers @serk12 (#729)

🧰 Maintenance

  • Make sure to run tests in avogadrolibs (including some fix for test failures) @ghutchis (#739)

📚 Translations

  • Translations update from Weblate @weblate (#721)

Credits

Thanks to many contributors, including: @drew-parsons, @ghutchis, @mrmrcl, @ovari, @serk12 @yurivict, and @weblate

avogadrolibs - Avogadro Libraries 1.93.0

Published by cryos over 4 years ago

The latest Avogadro libraries release with a number of feature enhancements and bug fixes.

avogadrolibs - AvogadroLibs 1.91.0

Published by cryos about 6 years ago

Our latest release with many feature enhancements, bug fixes, and other things as we move toward a 2.0 release!

avogadrolibs - AvogaroLibs 1.90.0

Published by cryos almost 8 years ago

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