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signac v1.5.0 Release Notes

• ➕ Added

  • Type annotations are validated during continuous integration (#313).
  • Added _repr_html_ method in ProjectSchema class (#314, #324).
  • 👍 Allow grouping by variables that are not present in all jobs in the project in JobsCursor.groupby (#321, #323).
  • ➕ Added parameters usecols and flatten to allow selection of columns and flattening of nested data when converting signac data into a pandas DataFrame (#327, #330).
  • ➕ Added support for pre-commit hooks (#355, #358).
  • 📚 Expanded CLI documentation (#187, #359, #377).

  🔄 Changed

  • 📄 Docstrings are now written in numpydoc style.

  🛠 Fixed

  • 🛠 Fix the signac config verify command (previously broken) (#301, #302).
  • ⚠ Warnings now appear when raised by the signac CLI (#317, #308).
  • 🛠 Fix dots in synchronization error messages (#375, #376).

  🗄 Deprecated

  • Deprecate the create_access_modules method in Project, to be removed in 2.0 (#303, #308).
  • 🗄 The MainCrawler class has replaced the MasterCrawler class. Both classes are deprecated (#342).

  ✂ Removed

  • ⬇️ Dropped support for Python 3.5 (#340). The signac project will follow the NEP 29 deprecation policy going forward.
  • ✂ Removed dependency on pytest-subtests (#379).

Previous changes from v1.4.0

• ➕ Added

  • ➕ Added Windows to platforms tested with continuous integration (#264, #266).
  • ➕ Add command line option -m/--merge for signac sync (#280, #230).

  🔄 Changed

  • Workspace directory is created when Project is initialized (#267, #271).
  • 🔄 Changed testing framework from unittest to pytest (#212, #275).
  • 🔨 Refactored internal use of deprecated get_statepoint function (#227, #282).

  🛠 Fixed

  • 🛠 Fixed issues on Windows with H5Store, project import/export, and operations that move files (#264, #266).
  • Calling items or values on _SyncedDict objects does not mutate nested dictionaries (#234, #269).
  • 🛠 Fixed issue with project.data access from separate instances of H5StoreManager (#274, #278).
  • Fixed error when launching signac shell if permissions are denied for .signac_shell_history (#279).

  ✂ Removed

  • ✂ Removed vendored tqdm module and replaced it with a requirement (#289).
  • ✂ Removed support for rapidjson as an alternative JSON library (#285, #287).
  • ✂ Removed tuple of keys implementation of nested dictionaries (#272, #296).

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