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

Dependencies
------------
`gmxbatch` depends on the following third party packages:

- `matplotlib <https://matplotlib.org>`_ >=3.0.0
- `jinja2 <https://jinja.palletsprojects.com>`_
- `numpy <https://numpy.org>`_ >= 1.15.0

For most functionality, you will also need a working installation of `GROMACS <https://gromacs.org>`_.

Conda
-----

.. code-block:: console

    conda install -c awacha gmxbatch

Pip
---

.. code-block:: console

    pip install gmxbatch

From source
-----------

.. code-block:: console

    git clone https://gitlab.com/awacha/gmxbatch.git
    cd gmxbatch
    git submodule init
    git submodule update
    python setup.py install