2.5.0

[orbeckst]

New minor release of alchemlyb with fixes and enhancements.

Supports Python 3.11 - 3.14.

See CHANGES for details.

What's Changed

• update action/checkout by @orbeckst in update action/checkout #417
• Parallel read and preprocess the data by @xiki-tempula in Parallel read and preprocess the data #371
• correct error in tutorial for plot_convergence() by @spackman in correct error in tutorial for plot_convergence() #422
• Line too long by @evidencebp in Line too long #424
• Add entropy and enthalpy by @jaclark5 in Add entropy and enthalpy #406
• add badge and how to cite by @xiki-tempula in add badge and how to cite #426
• Fix GMX test by @xiki-tempula in Fix GMX test #430
• Fix test by @xiki-tempula in Fix test #431
• Use bar_intervall instead of ntpr for parsing AMBER MBAR timestamps by @yuxuanzhuang in Use bar_intervall instead of ntpr for parsing AMBER MBAR timestamps #429
• Using ruff to do format and lint check by @xiki-tempula in Using ruff to do format and lint check #432
• Use mypy to do type check by @xiki-tempula in Use mypy to do type check #433
• update type hinting by @orbeckst in update type hinting #441
• Add Python 3.14 support and update CI/CD workflows by @orbeckst in Add Python 3.14 support and update CI/CD workflows #440
• prepare for release 2.5.0 by @orbeckst in prepare for release 2.5.0 #443
• clean ups for 2.5.0 release by @orbeckst in clean ups for 2.5.0 release #444

New Contributors

• @spackman made their first contribution in correct error in tutorial for plot_convergence() #422
• @evidencebp made their first contribution in Line too long #424
• @yuxuanzhuang made their first contribution in Use bar_intervall instead of ntpr for parsing AMBER MBAR timestamps #429

Full Changelog: 2.4.1...2.5.0

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This discussion was created from the release 2.5.0.

[orbeckst]

The initial version of the conda-forge packages were named incorrectly (see conda-forge/alchemlyb-feedstock#31 ) but this has now been fixed. Just make sure to mamba update your installation.