Installation Quick Start

MDAnalysis offers two methods to install the released version. For most users we recommend the Conda installation method.

Conda

If you don’t have conda installed yet, follow the installation instructions for 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 50 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 from the Python Package Index and have a working OpenMP installation.

Python Package Index

To install the latest stable release with pip (which should be available in all Python installations) do:

pip install --upgrade MDAnalysis

To run the test cases and examples, also install the unit tests (about 50 MiB in size):

pip install --upgrade MDAnalysisTests

More

For more details on installation and alternative ways to install MDAnalysis see Installing MDAnalysis in the User Guide.

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