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Published May 28, 2024 | Version 0.8.0
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spyrmsd

Authors/Creators

Description

Version 0.8.0

Date: 28/05/2024 Contributors: @RMeli

Added

  • Warnings filter for tests of multiple backends [PR #118 | @RMeli]
  • Parametrized fixture to run tests with all available backends [PR #118 | @RMeli]

Improved

  • Test IDs [PR #117 | @RMeli]

Changed

  • the default backend for pip installations to rustworkx [PR#122 | @RMeli]
  • pre-commit versions [PR #120 | @RMeli]
  • Versions of several GitHub Actions [PR #120 | @RMeli]
  • Location of backend tests to standalone file [PR #118 | @RMeli]

Removed

  • Many CI configurations in favour of running tests for all available backends [PR #118 | @RMeli]
  • tests/molecule.py in favour of fixtures [PR #118 | @RMeli]

Notes

If you use this software, please cite it as below.

Files

RMeli/spyrmsd-0.8.0.zip

Files (293.6 kB)

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md5:6d0dadde9bf67a8b7ed060d897627c6d
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Additional details

Related works

Is supplement to
Software: https://github.com/RMeli/spyrmsd/tree/0.8.0 (URL)