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