Testing is crucial to the development of any software and MDAnalysis currently uses nose to test their code. Unfortunately, nose is no longer under active development so the community has decided to shift over to pytest. Another problem is the performance of the current testsuite in terms of execution time. Currently the TravisCI build takes around 45 minutes (50 min. being the cap). This causes builds to fail because they are terminated on exceeding the maximum execution time. The objective of this project is to implement this shift in a way that existing development work is not affected and to improve performance of the existing test cases and to make it more maintainable in general.



Utkarsh Bansal


  • Richard Gowers
  • Manuel Melo
  • Jonathan Barnoud
  • Max Linke