fix: leave handling MPI setup to AiiDA (#99)

AiiDA already takes care of setting `withmpi` in the `CodeInfo` appropriately. Manually copying over the value from `metadata.options.withmpi` prevents AiiDA from distinguishing between a default value and a value provided by the user.
aiidateam · Mar 13, 2023 · dd0c1f0 · dd0c1f0
1 parent 3d03ff0
commit dd0c1f0
Showing 1 changed file with 0 additions and 1 deletion.
diff --git a/{{cookiecutter.plugin_name}}/{{cookiecutter.module_name}}/calculations.py b/{{cookiecutter.plugin_name}}/{{cookiecutter.module_name}}/calculations.py
@@ -71,7 +71,6 @@ def prepare_for_submission(self, folder):
         )
         codeinfo.code_uuid = self.inputs.code.uuid
         codeinfo.stdout_name = self.metadata.options.output_filename
-        codeinfo.withmpi = self.inputs.metadata.options.withmpi
 
         # Prepare a `CalcInfo` to be returned to the engine
         calcinfo = datastructures.CalcInfo()