Workflow’s Guide For AiiDA

Creating new workflows

New user specific workflows should be importable by python. The simplest thing is to put them in aiida/workflows/user. A better option, if the workflow is general enough to be of interest for the community, is to create a new AiiDA plugin containing the workflow and install it (you can check the documentation on how to make new plugin repositories).

In the first case, put files in all subdirectories of aiida/workflows/user to be able to import any workflows. Also, it may be a good idea to create a specific workflow factory to load easily workflows of the subdirectory. To do so place in your file in the main workflow directory (e.g. in aiida/workflows/user/myname/ in the example above):

from aiida.orm.workflow import Workflow

def MynameWorkflowFactory(module):
    Return a suitable Workflow subclass for the workflows defined here.
    from aiida.common.pluginloader import BaseFactory

    return BaseFactory(module, Workflow, "aiida.workflows.user.myname")

In this example, a workflow located in e.g. aiida/workflows/user/myname/foldername/ can be loaded simply by typing:



The class name of the workflow should be compliant with the BaseFactory syntax. In the above example, it should be called PluginWorkflow otherwise the workflow factory won’t work.

You can also customize your verdi shell by adding this function to the modules to be loaded automatically – see here for more information.