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Update README.rst with AiiDA installation and profile info
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GeigerJ2 authored Sep 12, 2024
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Weather and Climate Workflow Tool based on AiiDA
================================================

WcFlow a library for creating weather and climate workflows from a yaml format inspired by `cylc <https://cylc.github.io/>`_ using `AiiDA <https://www.aiida.net/>`_ as workflow engine.
WcFlow is a library for creating weather and climate workflows from a yaml format inspired by `cylc <https://cylc.github.io/>`_ using `AiiDA <https://www.aiida.net/>`_ as workflow engine.

.. marker-installation-aiida
Installing AiiDA
----------------

To install AiiDA, it is first recommended to create a virtual environment, e.g. via ``venv`` and activate it:

.. code-block:: bash
python -m venv ~/.python_venvs/wcflow
source ~/.python_venvs/wcflow/bin/activate
The ``aiida-core`` package can then be installed with pip:

.. code-block:: bash
pip install aiida-core
Finally, ``verdi presto`` can be used to quickly set up an AiiDA profile using SQLite via:

.. code-block:: bash
verdi presto --profile-name wcflow
Further information on the installation can be found in the
`AiiDA documentation <https://aiida.readthedocs.io/projects/aiida-core/en/latest/installation/index.html>`_,
which covers (among other topics) how to set up RabbitMQ, necessary to run processes in the background in a non-blocking manner, as well as how use a more performant PostgreSQL database.

.. marker-installation
Install
-------
Installing the package for development
--------------------------------------

To install it please use
To install the package please use

.. code-block:: bash
pip install -e .
This will automatically install the additional, required packages, ``aiida-shell`` and ``aiida-workgraph`` at compatible versions.

.. marker-developer-tools
Developer tools
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