AiiDA plugin which contains data and methods for atomistic simulations.
git clone https://github.com/aiidateam/aiida-atomistic .
pip install ./aiida-atomistic
verdi quicksetup # better to set up a new profile
verdi plugin list aiida.data # should now show your data pluginsgit clone https://github.com/aiidateam/aiida-atomistic .
cd aiida-atomistic
pip install --upgrade pip
pip install -e .[pre-commit,testing] # install extra dependencies
pre-commit install # install pre-commit hooks
pytest -v # discover and run all testsSee the developer guide for more information.
MIT