From 7a26582dbbcf96fae9ee58d63b8e336aea8119cc Mon Sep 17 00:00:00 2001 From: Julian Geiger Date: Thu, 12 Sep 2024 12:32:09 +0200 Subject: [PATCH] Update README.rst with AiiDA installation and profile info --- README.rst | 38 ++++++++++++++++++++++++++++++++++---- 1 file changed, 34 insertions(+), 4 deletions(-) diff --git a/README.rst b/README.rst index 0161a30..e8153f3 100644 --- a/README.rst +++ b/README.rst @@ -3,19 +3,49 @@ Weather and Climate Workflow Tool based on AiiDA ================================================ -WcFlow a library for creating weather and climate workflows from a yaml format inspired by `cylc `_ using `AiiDA `_ as workflow engine. +WcFlow is a library for creating weather and climate workflows from a yaml format inspired by `cylc `_ using `AiiDA `_ 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 `_, +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