‼️ Prioritize the order_by approach to sorting submissions

Currently the `order_by` field of the `FromGroupSubmissionController` does not
actually work as intented for default `submit_new_batch` calls, since it will
sort the `extras_to_run` again after the extras "to submit" are obtained.
Moreover, the `get_all_extras_to_submit` method of the
`FromGroupSubmissionController` would return the extras as a set, instead of the
list obtained by the ordered query.

Here we set the `sort` input argument of the `submit_new_batch()` method to
`False` by default. This is technically a backwards-incompatible change,
although any impact on users should be minor since it only changes the order
of submission.

aiida_submission_controller/base.py

@@ -152,14 +152,14 @@ def num_available_slots(self):
     @property
     def num_to_run(self):
         """Number of processes that still have to be submitted."""
-        return len(self.get_all_extras_to_submit().difference(self._check_submitted_extras()))
+        return len(set(self.get_all_extras_to_submit()).difference(self._check_submitted_extras()))
 
     @property
     def num_already_run(self):
         """Number of processes that have already been submitted (and might or might not have finished)."""
         return len(self._check_submitted_extras())
 
-    def submit_new_batch(self, dry_run=False, sort=True, verbose=False):
+    def submit_new_batch(self, dry_run=False, sort=False, verbose=False):
         """Submit a new batch of calculations, ensuring less than self.max_concurrent active at the same time."""
         CMDLINE_LOGGER.level = logging.INFO if verbose else logging.WARNING
 

aiida_submission_controller/from_group.py

@@ -83,4 +83,4 @@ def get_all_extras_to_submit(self):
         results_set = set(results)
 
         assert len(results) == len(results_set), "There are duplicate extras in the parent group"
-        return results_set
+        return results