Merge pull request #12 from ml-evs/ml-evs/fix

Fix handling of null worker in `submit_flow`

src/jobflow_remote/config/manager.py

@@ -330,16 +330,15 @@ def remove_worker(self, worker_name: str, project_name: str | None = None):
         self.dump_project(project_data)
 
     def get_worker(
-        self, worker_name: str | None = None, project_name: str | None = None
+        self, worker_name: str, project_name: str | None = None
     ) -> WorkerBase:
         """
         Return the worker object based on the name.
 
         Parameters
         ----------
         worker_name
-            Name of the worker to retrieve, or None to use the first one listed in the
-            project.
+            Name of the worker to retrieve.
         project_name
             Name of the project from which the Worker should be retrieved, or None to
             use the one from the settings.
@@ -348,9 +347,6 @@ def get_worker(
             The selected Worker.
         """
         project = self.get_project(project_name)
-        if not worker_name:
-            worker_name = next(iter(project.workers.keys()))
-
         if worker_name not in project.workers:
             raise ConfigError(f"Worker with name {worker_name} is not defined")
         return project.workers[worker_name]

src/jobflow_remote/fireworks/convert.py

@@ -5,7 +5,7 @@
 from fireworks import Firework, Workflow
 from qtoolkit.core.data_objects import QResources
 
-from jobflow_remote.config.base import ExecutionConfig
+from jobflow_remote.config.base import ConfigError, ExecutionConfig
 from jobflow_remote.fireworks.tasks import RemoteJobFiretask
 
 if typing.TYPE_CHECKING:
@@ -66,6 +66,9 @@ def flow_to_workflow(
     parent_mapping: dict[str, Firework] = {}
     fireworks = []
 
+    if not worker:
+        raise ConfigError("Worker name must be set.")
+
     flow = get_flow(flow)
 
     for job, parents in flow.iterflow():

src/jobflow_remote/jobs/submit.py

@@ -3,7 +3,7 @@
 import jobflow
 from qtoolkit.core.data_objects import QResources
 
-from jobflow_remote.config.base import ExecutionConfig
+from jobflow_remote.config.base import ConfigError, ExecutionConfig
 from jobflow_remote.config.manager import ConfigManager
 from jobflow_remote.fireworks.convert import flow_to_workflow
 
@@ -27,7 +27,8 @@ def submit_flow(
     flow
         A flow or job.
     worker
-        The name of the Worker where the calculation will be submitted
+        The name of the Worker where the calculation will be submitted. If None, use the
+        first configured worker for this project.
     store
         A job store. Alternatively, if set to None, :obj:`JobflowSettings.JOB_STORE`
         will be used. Note, this could be different on the computer that submits the
@@ -46,6 +47,10 @@ def submit_flow(
     config_manager = ConfigManager()
 
     proj_obj = config_manager.get_project(project)
+    if worker is None:
+        if not proj_obj.workers:
+            raise ConfigError("No workers configured for this project.")
+        worker = next(iter(proj_obj.workers.keys()))
 
     # try to load the worker and exec_config to check that the values are well defined
     config_manager.get_worker(worker_name=worker, project_name=project)