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This PR updates rmsd from 1.2.7 to 1.5.0.

Changelog

1.5.0

Added static type, improved code quality and fixed bugs

* Switched to pre-commit for code-formatting
*  Updated github workflow
*  Added pytest for CLI args
*  Added HETATM keyword for PDB reader (https://github.com/charnley/rmsd/pull/89)
*  Adding static types and type test (https://github.com/charnley/rmsd/pull/81)
*  Fixed reorder inconsistency with print argument (https://github.com/charnley/rmsd/issues/93 https://github.com/charnley/rmsd/pull/94)

1.4

- refactor / formats
- better functions
- better tests
- added QML atom assignment

1.3.2

Bug fixes and reflections update

1.3.0

Added reordering functionality.
Restructure a bit, clearer structure
Added more tests
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@pyup-bot pyup-bot mentioned this pull request Dec 23, 2022
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pyup-bot commented Jan 6, 2023

Closing this in favor of #564

@pyup-bot pyup-bot closed this Jan 6, 2023
@weitzner weitzner deleted the pyup-update-rmsd-1.2.7-to-1.5.0 branch January 6, 2023 18:08
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2 participants