spyrmsd

Date: 08/09/2023 Contributors: @RMeli

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

• 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]

• 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]

• 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• Outdated information about RDKit from the documentation [PR #84 | @RMeli]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]