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PQSetup 0.1.0

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@github-actions github-actions released this 13 Sep 09:00
· 48 commits to main since this release

What's Changed

  • Add PQSetup documentation site by @galjos in #1
  • Update PQSetup for PQ 0.7 by @galjos in #2
  • fix: reject '.' and '..' as setup filenames by @galjos in #10
  • fix: require rpmd_n_replica for qm-rpmd setups by @galjos in #9
  • fix: reject mm-opt with MD ensembles by @galjos in #7
  • fix: reject start_file equal to restart_file on simple export by @galjos in #8
  • Fix PyPI publishing for Core Metadata 2.5 by @galjos in #22

Full Changelog: https://github.com/MolarVerse/PQSetup/commits/v0.1.0