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
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
__init__.py files in all subdirectories
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
__init__.py file in the main workflow directory
aiida/workflows/user/myname/__init__.py 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.
can be loaded simply by typing:
The class name of the workflow should be compliant with the
syntax. In the above example, it should be called
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.