Installation Quick Start

Python Package Index

To install the latest stable release with pip do:

pip install --upgrade MDAnalysis

To run the test cases and examples, also install the unit tests (about 20 MiB in size):

pip install --upgrade MDAnalysisTests

Conda

To install the lastest stable release with conda do:

conda config --add channels conda-forge
conda install mdanalysis

To upgrade to the latest stable release.

conda update mdanalysis

To run the test cases and examples, also install the unit tests (about 20 MiB in size):

conda install MDAnalysisTests

The conda packages currently only support serial calculations. If you plan to use the parallel OpenMP algorithms you need to install MDAnalysis with pip and have a working OpenMP installation.

More

For more details on installation and alternative ways to install MDAnalysis (e.g. through your distribution’s package manager, see Installing MDAnalysis).

If you have questions with the installation, please ask on the mdnalysis-discussion mailing list.