============
Installation
============

For ``pypi`` installation. Note that installation of `lammps-cython`
may fail and is required. You will need to install ``LAMMPS`` as documented `here <https://chrisostrouchov.com/lammps-cython/installation.html#pip>`_.

.. code-block:: shell

   pip install dftfit


For `conda` installation

.. code-block:: shell

   conda install -c costrouc -c matsci -c conda-forge dftfit


For `docker` installation

.. code-block:: shell

   docker pull costrouc/dftfit
   docker run -it costrouc/dftfit /bin/bash