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

Requirements
------------

* Python ≥ 3.9
* ``pip`` ≥ 21.3 (``pyproject.toml`` support)
* Required dependencies: :mod:`numpy`, :mod:`scipy`, :mod:`pymatgen`
* Optional: :mod:`matplotlib` for magnon band plots

Install from source
-------------------

.. code-block:: bash

   git clone https://gitlab.com/xrocquef/MAG4.git
   cd MAG4
   pip install -e ".[dev,docs,plot]"

The ``scripts/setup_env.sh`` pre-script automates creating a ``.venv``
virtual environment and installing everything:

.. code-block:: bash

   bash scripts/setup_env.sh
   source .venv/bin/activate

Verification
------------

.. code-block:: bash

   python -c "import mag4; print(mag4.__version__)"
   pytest
   mag4-magnetic --help
   mag4-extract  --help
   mag4-magnon   --help
   mag4-angles   --help
   mag4-moments  --help