MDAnalysis/mdanalysis package-2.9.0 on GitHub

Release 2.9.0 of MDAnalysis

This is a minor release of MDAnalysis.

This release supports NumPy 2.0+ and offers backwards compatibility through to NumPy 1.23.2

Supported Python versions:

See the CHANGELOG and our release blog post for more details.

Support for Gromacs v2024.4 and v2025 TPR files.
A new "water" keyword for selecting water residues.
fasteners dependency has been switch to filelock.
Support for distopia 0.4.0 as an optional distance library backend.
Parallel analysis support for MDAnalysis.analysis.nucleicacids, MDAnalysis.analysis.contacts, and MDAnalysis.analysis.density.
XYZ writer can now write positions up to a user-supplied precision via the precision keyword argument.
MDAnalysis.analysis.hole2, MDAnalysis.analysis.psa, and MDAnalysis.analysis.waterdynamics, are now only available via optional dependencies (the mdahole2, pathsimanalysis, and waterdynamics mdakits). By default these will not be installed, you will need to install them separately if you wish to use them. Please note that in v3.0 theses modules will be removed completely from the MDAnalysis core library and you will need to use the mdakits directly.