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Changelog

All notable changes to this project will be documented in this file.

The format is based on Keep a Changelog, and this project adheres to Semantic Versioning.

[0.5.0] -- 2024-11-22

Authors

  • IAlibay

Changed

  • Python 3.9 has now been dropped as per SPEC0
  • The license has now been changed to LGPLv2.1+

Added

  • Support for Python 3.13

[0.4.0] -- 2024-01-30

Authors

  • ianmkenney
  • IAlibay
  • lilyminium

Added

  • Support for Python 3.12 (PR #42)
  • mdahole2 confirmed to work on macOS and is now included in CI (PR #35)
  • Added and updated documentation (PR #48, Issue #33)

Fixed

  • Duecredit paths now point to mdahole2
  • Updated to modern matplotlib get_cmap (PR #39)

Changed

  • Version handling is now handled via versioningit (PR #41)
  • Switched to shutil.which instead of custom function (PR #41)

Deprecated

Removed

0.3.0 -- 2023-07-12

Authors

  • ianmkenney

Changed

  • bumped Python support from 3.8+ to 3.9+
  • test environment file now points to the conda-forge hole2 binary (#15)
  • package name shortened from mdakithole2 to mdahole2 (#21)

0.2.0 -- 2023-05-04

The original MDAnalysis.analysis.hole2 was written by Lily Wang in 2020 and had been part of MDAnalysis since release 1.0.0, https://docs.mdanalysis.org/2.6.1/documentation_pages/analysis/hole2.html. Ian Kenney created the mdakithole2 MDAKit in 2022, based on the original code in MDAnalysis. Additional contributors to the original source code are listed in the AUTHORS.md file.

Authors

  • ianmkenney
  • IAlibay

Added

  • the core functionality of hole2-mdakit (and its tests) was implemented using the source code from MDAnalysis.analysis.hole2 (PR #1)
  • GitHub actions CI workflow (PR #2 #3 #7)
  • added historical authors from original source to AUTHORS.md (PR #4)
  • documentation deployed to github pages (PR #11)

Changed