MDAnalysisTests 2.9.0

MDAnalysis testsuite

MDAnalysis is a Python toolkit to analyze molecular dynamics trajectories generated by CHARMM, Amber, NAMD, LAMMPS, or Gromacs.

Note

This package only contains the UnitTests and the data files that are used in the test suite of the MDAnalysis package https://www.mdanalysis.org. They should be installed together with MDAnalysis.

The test files change less frequently, take up around 70 MB of space, and are not needed for daily use of MDAnalysis so they are distributed separately from the main package.

For installation instruction please have a look at INSTALL and the instructions online at https://userguide.mdanalysis.org/contributing_code.html

The tests are described at https://github.com/MDAnalysis/mdanalysis/wiki/UnitTests

For further information please see the documentation for MDAnalysis itself and the UserGuide: Contributing.

Contact

Please report bugs and feature requests through the Issue Tracker.

Help is also available through GitHub Discussions at https://github.com/MDAnalysis/mdanalysis/discussions/categories/installation.

For questions and discussions for code development, use GitHub Discussions.