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Avogadro 1.96.0
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@github-actions github-actions released this 02 Jun 22:42
· 601 commits to refs/heads/master since this release
1.96.0
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ghutchis Geoff Hutchison
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Learn about vigilant mode.
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Learn about vigilant mode.

Changes

We are pleased to announce the latest release of Avogadro, including piles of bug fixes and feature enhancements, including contributions from @aerkiaga as part of Google Summer of Code.
Thanks to many for suggestions, bug reports, and discussions.

Draft developer documentation can be found at https://two.avogadro.cc

As part of this release, we have an official AppImage build for Linux, as well as a code-signed release for macOS.

If you have comments or suggestions, please join us at https://discuss.avogadro.cc and as always, help and contributions
in many forms are very welcome, particularly if you'd like to help with user documentation or website developement.

✨ Features

  • Insert DNA/RNA dialog @ghutchis
  • Render close contacts @aerkiaga
  • Create new layer from selection @ghutchis
  • Tweak the mesh lighting .. now lights "from the top" @ghutchis
  • Add an initial config widget to set mesh colors and opacity @ghutchis
  • Import and retain space group information @ghutchis
  • Write Gaussian cube files @ghutchis
  • Add plugin to focus or unfocus selection @aerkiaga
  • Implement close contact perception logic @aerkiaga
  • Add formal charge to atom property tables @ghutchis
  • Add support for formal charges @aerkiaga
  • Add setting to reverse direction of scroll-to-zoom @ghutchis
  • Tweak icons for label editor and selection @ghutchis
  • Add tooltips to tools @ghutchis
  • Add label editor to create custom labels @serk12
  • Add a copy graphics action

🚀 Performance Fixes

🐛 Bug Fixes

  • Add .cjson extension to files if none is present
  • Update atomic masses @ghutchis
  • Fix layer memory crash @ghutchis
  • Fix memory leak with OpenGL: Detaching and deleting shaders/programs on updates @octycs
  • Remove call for Core::Molecule rendering to eliminate casting @ghutchis
  • Fix reading generic file formats with Open Babel @ghutchis
  • Fix erratic editing behavior @aerkiaga
  • Solve problems writing files with no extension @ghutchis
  • Convert 2-letter PDB symbols to appropriate case @aerkiaga
  • Fix Manipulation and Bond Centric Manipulation tools @aerkiaga
  • Fall back to Wikipedia method for dihedral angles @ghutchis
  • Be careful about assign or copy from molecules with no layers @ghutchis
  • Disable dynamic bonding during animation @ghutchis
  • Try to use 'python' in the path as a fallback @ghutchis

🧰 Maintenance

  • Fix Valgrind uninitialized errors @aerkiaga
  • Add tests using various sanitizers @ghutchis
  • Make sure to sign and notarize the Mac build @ghutchis
  • Only build overlayaxes if USE_OPENGL is enabled @ghutchis
  • Try using Windows 2019 to build wheels @ghutchis
  • Create Codacy scans @ghutchis
  • test ">=0" within machine precision (>-EPS) @drew-parsons
  • Add defaultBehavior method to render plugins @serk12
  • Update setup.py with long description from README.md and URLs @ghutchis

📚 Translations

  • Translations update from Hosted Weblate @weblate
  • Automated translation updates @github-actions
  • Minor tweaks to the automated pull request @ghutchis

Credits

Thanks to many contributors, including: @HoangTuan110, @Lisapple, @M3CG, @SantosSi, @aerkiaga, @comradekingu, @drew-parsons, @ejatjon, @ersen0, @ghutchis, @github-actions, @github-actions[bot], @milotype, @nicolasfella, @octycs, @ovari, @rezaalmanda, @serk12, @urkawa, @weblate, J. Lavoie, Pa, Temuri Doghonadze, phlostically and 刘韬

Contributors

ghutchis, weblate, and 16 other contributors
Assets 6
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