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@RMeli RMeli released this 08 Sep 20:14
· 2 commits to master since this release
0.6.0
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Learn about vigilant mode.

Version 0.6.0

Date: 08/09/2023
Contributors: @RMeli

Improved

  • Documentation on loading RDKit and Open Babel molecules [PR #77 | @RMeli]

Changed

  • Versions of pre-commit hooks tools [PR #85 | @RMeli]
  • Version of several GitHub actions [PR #76 | @RMeli]
  • Versioneer to 0.28 [PR #76 | @RMeli]
  • Minimum Python version to 3.7 to match CI [PR #76 | @RMeli]
  • Code according to black==23.3.0 [PR #76 | @RMeli]

Added

  • pre-commit CI action [PR #85 | @RMeli]
  • extras_require to setup.py for RDKit and Open Babel [PR #84 | @RMeli]
  • Error message when spyrmsd is used as module but neither OpenBabel nor RDKit are installed [PR #81 | @RMeli]
  • Pin to sphinx<7 to avoid compatibility with RTD theme [PR #77 | @RMeli]

Removed

  • ubuntu-latest-3.7-rdkit-gt configuration from CI due to continuous failures [PR #84 | @RMeli]
  • Outdated information about RDKit from the documentation [PR #84 | @RMeli]
  • Support for Open Babel 2 [PR #84 | @RMeli]
  • LGTM badge and code annotations [PR #76 | @RMeli]

Contributors

RMeli
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