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Docs: Add instruction on how to install the package
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docs/source/index.rst

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