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aiidaplugins · Sep 17, 2024 · 0c922d6 · 0c922d6
1 parent ab4f5c3
commit 0c922d6
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Showing 2 changed files with 10 additions and 4 deletions.
diff --git a/aiida_flexpart/calculations/collect_sens.py b/aiida_flexpart/calculations/collect_sens.py
@@ -37,6 +37,7 @@ def define(cls, spec):
         spec.input_namespace('remote', valid_type=orm.RemoteStashFolderData, required=True)
 
         #EXTRA INPUTS
+        spec.input('name', valid_type=str, non_db=True, required=False)
         spec.input('model',valid_type = str,non_db=True, required = True)
         spec.input('outgrid',valid_type = str,non_db=True, required = True)
         spec.input('outgrid_n',valid_type = bool,non_db=True, required = True)
@@ -70,13 +71,18 @@ def prepare_for_submission(self, folder):
                                 'bs.path':path,
                                 'domain.str':self.inputs.outgrid,
                                 'nest':self.inputs.outgrid_n,
-                                'globals':{
+                                    })
+            params_dict['globals'].update({
                                         'met_model':self.inputs.model,
                                         'model_version':'FLEXPART '+ str_
-                                        }
-                                    })
+                                        })
+
             _ = yaml.dump(params_dict, f)
 
+        if 'name' in self.inputs:
+            self.node.base.extras.set(
+                self.inputs.name, params_dict)
+
         # Prepare a `CalcInfo` to be returned to the engine
         calcinfo = common.CalcInfo()
         calcinfo.codes_info = [codeinfo]

diff --git a/pyproject.toml b/pyproject.toml
@@ -7,7 +7,7 @@ name = "aiida_flexpart"
 
 [project]
 name = "aiida-flexpart"
-version = "0.1.7"
+version = "0.1.8"
 readme = "README.md"
 license = {file = 'LICENSE'}
 description = "AiiDA plugin for the FLEXPART code (simulation of atmospheric transport processes)."