In pyiron jobs can be very conveniantly be initialized from the Project instance:
from pyiron import Project
pr = Project('test')
job = pr.create.job.MyJob('job_name')To enable this feature without the burden to import all available JobClasses on startup of pyiron, new jobs need to be registered as JobType:
from pyiron_base import JobType
JobType.register('pyiron_module.submodule.my_job_class_module', 'MyJobClass')The register @classmethod performs some (minor) sanity checks, in particular raises an error whenever there is already such a MyJobClass registered with a different class. To replace an already existing job class, an overwrite argument is available.
To facilitate the development of new job classes (e.g. in Notebooks), every subclass of GenericJob auto-registers as a new job type.
Since this requires the import of the corresponding class at runtime, prior to the pr.create.job.MyJob() call, a final incorporation of the job into pyiron requires to register using the string based version from above.
Attempts to auto-register a job type which is already known to JobType is reported in the pyiron.log and otherwise ignored.
It is also possible to unregister a given job using the corresponding unregister method. This is particular useful to omit the auto-registration in case of abstract job classes and can be used as @docorator:
@JobType.unregister
class MyBaseJobClass(GenericJob):
"""Abstract base class for all jobs using XYZ..."""It is under consideration to enhance the job registration by providing a scope for the job a la
JobType.register('module.path', 'JobClass', branch='atomistics', tag='DFT')which would allow to filter the available job types by these extra inforation.