diff --git a/docs/source/index.rst b/docs/source/index.rst index 418b0230..d2faeea7 100644 --- a/docs/source/index.rst +++ b/docs/source/index.rst @@ -54,6 +54,49 @@ The common workflows can be subdivided into two categories: :classes: btn-outline-primary btn-block stretched-link +.. _installation: + +************ +Installation +************ + +The Python package can be installed from the Python Package index (PyPI) or directly from the source: +The recommended method of installation is to use the Python package manager ``pip``: + +.. code-block:: console + + $ pip install aiida-common-workflows + +This will install the latest stable version that was released to PyPI. +Note that this will not install any of the plugin packages that are required to run any of the common workflow implementations. +To install all plugin packages that implement a common workflow, run the install with the ``all_plugins`` extra: + +.. code-block:: console + + $ pip install aiida-common-workflows[all_plugins] + +Alternatively, you can choose a specific plugin to prevent having to install all plugin packages, for example: + +.. code-block:: console + + $ pip install aiida-common-workflows[quantum_espresso] + +will install the package plus the dependencies that are required to run the implementation for Quantum ESPRESSO. +The available extras are ``abinit``, ``bigdft``, ``castep``, ``cp2k``, ``fleur``, ``gaussian``, ``gpaw``, ``nwchem``, ``orca``, ``quantum_espresso``, ``siesta``, ``vasp`` and ``wien2k``. + +To install the package from source, first clone the repository and then install using ``pip``: + +.. code-block:: console + + $ git clone https://github.com/aiidateam/aiida-common-workflows + $ pip install -e aiida-common-workflows + +The ``-e`` flag will install the package in editable mode, meaning that changes to the source code will be automatically picked up. + +To work with ``aiida-common-workflows``, a configured AiiDA profile is required. +Please refer to `AiiDA's documentation `_ for detailed instructions. + + .. _how-to-submit: *******************************