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.. _getting-started:
Getting started
###############
.. highlight: bash
Installing ``pymbar``
=====================
This documentation covers ``pymbar`` 4. For the previous versions of pymbar, see: `pymbar 3.0.7 <https://pymbar.readthedocs.io/en/3.0.7/>`_.
conda (recommended)
-------------------
The easiest way to install the ``pymbar`` release is via `conda <http://conda.pydata.org>`_:
.. code-block:: console
$ conda install -c conda-forge pymbar
You can also install ``pymbar`` from the `Python package index <https://pypi.python.org/pypi/pymbar>`_ using ``pip``:
.. code-block:: console
$ pip install pymbar
Development version
-------------------
The development version can be installed directly from GitHub via ``pip``:
.. code-block:: console
$ pip install git+https://github.com/choderalab/pymbar.git
In beta testing, this is way to download pymbar 4.
Running the tests
=================
Running the tests is a great way to verify that everything is working.
The test suite uses `pytest <https://docs.pytest.org/>`_, in addition to `statsmodels <http://statsmodels.sourceforge.net/>`_ and `pytables <http://www.pytables.org/>`_, which you can install via ``conda``:
.. code-block:: console
$ conda install pytest statsmodels
You can then run the tests from within the `pymbar` directory with:
.. code-block:: console
$ pytest -v pymbar
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