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Version 0.5.0

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@DomFijan DomFijan released this 28 Jan 04:58
v0.5.0
11e21bc
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Learn about vigilant mode.

Version 0.5.0 (28/1/2026)

Added

  • Pixi-based workflows for testing, linting, and builds with per-Python environments and lockfile support.
  • Renovate configuration with explicit automerge rules and maintenance scheduling.
  • CI job for prek checks plus a quarterly prek update workflow.
  • Support for Python 3.13 and 3.14.
  • Added support for reading pdb trajectory files which have inconsistent number of atoms in different frames

Changed

  • Dropped support for Python 3.9 and 3.10; minimum supported Python is now 3.11.
  • Updated CI matrix to test Python 3.11–3.14.
  • Raised NumPy minimum to 2.0+
  • ConservedWaterSearch minimum/test pins updated to 0.5.0 for NumPy 2 compatibility.
  • Ruff config adjusted to Python 3.11 target.
  • Removed wget as dependency. If using probis for aligning, user provided installation/executable is required now.
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