Getting Started

This page details how to get started with PathSimAnalysis.

Installation

Conda / Mamba

You can install pathsimanalysis from the conda-forge channel with:

conda install -c conda-forge pathsimanalysis

or alternatively with mamba if you have it installed:

mamba install -c conda-forge pathsimanalysis

PyPi

PathSimAnalysis can be installed from PyPI with:

pip install pathsimanalysis

If you would like to test your installation, use the test optional dependencies and run the tests:

pip install "pathsimanalysis[test]"
pytest --pyargs pathsimanalysis.tests

From source

If you want the latest (non-release) version of PathSimAnalysis, you should install the package from source.

git clone --depth=1 https://github.com/MDAnalysis/PathSimAnalysis
cd PathSimAnalysis
pip install .

If you want to run tests on your installation, install the test dependencies and run the tests:

pip install ".[test]"
pytest --pyargs pathsimanalysis.tests