Getting Started

Install the waterdynamics package by any of the methods described below:

Installation

From conda-forge

Install waterdynamics from the conda-forge channel by first adding conda-forge to you channels with:

conda config --add channels conda-forge
conda config --set channel_priority strict

Once the conda-forge channel has been enabled, waterdynamics can be installed with conda:

conda install waterdynamics

or with mamba (if you have it installed):

mamba install waterdynamics

From the Python Package Index

The waterdynamics package can be installed from PyPI with:

pip install waterdynamics

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

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

From source

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

git clone https://github.com/MDAnalysis/waterdynamics
cd waterdynamics
pip install .

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

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