v0.2.0 release (BREAKING CHANGES)

This is a release with breaking changes: The IMDReader (and StreamAnalysis) have been removed and are being added to MDAnalysis (see MDAnalysis/mdanalysis#4827 and MDAnalysis/mdanalysis#4828 ). From 0.2.0 onward, imdclient does not depend on MDAnalysis and provides only the bare-bones functionality for any Python code to interface with IMDv3 (and IMDv2) producers.

The IMDv3 functionality is tested with GROMACS, LAMMPS, and NAMD. See the documentation for availability of IMDv3 in these MD engines.

The IMDv2 functionality is currently untested (see issue #82 ) and should be used with caution.

What's Changed

• Updated installation instructions by @amruthesht in #74
• IMDReader removed from imdclient by @amruthesht in #54
• Update PyPi push action due to error by @hmacdope in #77 and #78
• Fix coverage reporting merge for test_imdclient.py and test_utils.py by @Copilot in #89
• Update codecov-action to v5 by @Copilot in #91
• Add code coverage collection to MD engine integration tests by @Copilot in #93
• Add Python 3.13 support by @Copilot in #90
• MD engine links updated in IMDClient documentation by @amruthesht in #73
• Fix race condition in InThreadIMDServer by auto-binding to free port by @Copilot in #94
• prepare for release 0.2.0 by @orbeckst in #95

New Contributors

• @hmacdope made their first contribution in #77
• @Copilot made their first contribution in #89

Full Changelog: v0.1.5...v0.2.0