Merge branch 'main' of https://github.com/aiidaplugins/aiida-flexpart

aiidaplugins · Apr 29, 2024 · f0f12c0 · f0f12c0
2 parents 5cd95cc + 3bbe5d2
commit f0f12c0
Showing 1 changed file with 35 additions and 8 deletions.
diff --git a/aiida_flexpart/workflows/multi_dates_workflow.py b/aiida_flexpart/workflows/multi_dates_workflow.py
@@ -28,6 +28,9 @@ def define(cls, spec):
         spec.input('check_meteo_ifs_code', valid_type=orm.AbstractCode)
         spec.input('post_processing_code', valid_type=orm.AbstractCode)
 
+        #extras
+        spec.input('name', valid_type=str, non_db=True, required=False)
+
         # Basic Inputs
         spec.input('simulation_dates',
                    valid_type=orm.List,
@@ -108,10 +111,12 @@ def define(cls, spec):
         spec.outline(
             cls.setup,
             engine.while_(cls.condition)(
-                engine.if_(cls.run_cosmo)(engine.if_(
-                    cls.prepare_meteo_folder_cosmo)(cls.run_cosmo_simulation)),
-                engine.if_(cls.run_ifs)(engine.if_(
-                    cls.prepare_meteo_folder_ifs)(cls.run_ifs_simulation)),
+                engine.if_(cls.run_cosmo)(
+                    engine.if_(cls.prepare_meteo_folder_cosmo)(
+                        cls.run_cosmo_simulation)),
+                engine.if_(cls.run_ifs)(
+                    engine.if_(cls.prepare_meteo_folder_ifs)(
+                        cls.run_ifs_simulation)),
                 cls.post_processing,
             ),
             cls.results,
@@ -157,6 +162,24 @@ def setup(self):
         self.ctx.outgrid = self.inputs.outgrid
         self.ctx.species = self.inputs.species
         self.ctx.land_use = self.inputs.land_use
+        if 'name' in self.inputs:
+            out_n = 'None'
+            if 'outgrid_nest' in self.inputs:
+                out_n = self.inputs.outgrid_nest.get_dict()
+            self.node.base.extras.set(
+                self.inputs.name, {
+                    'command': self.ctx.command.get_dict(),
+                    'input_phy': self.ctx.input_phy.get_dict(),
+                    'release': self.ctx.release_settings.get_dict(),
+                    'locations': self.ctx.locations.get_dict(),
+                    'integration_time': self.ctx.integration_time.value,
+                    'offline_integration_time':
+                    self.ctx.offline_integration_time.value,
+                    'model': self.inputs.model,
+                    'model_offline': self.inputs.model_offline,
+                    'outgrid': self.inputs.outgrid.get_dict(),
+                    'outgrid_nest': out_n
+                })
 
     def prepare_meteo_folder_ifs(self):
         """prepare meteo folder"""
@@ -275,9 +298,11 @@ def run_cosmo_simulation(self):
             'input_phy': self.ctx.input_phy,
         }
 
-        builder.outgrid = self.ctx.outgrid
+        builder.outgrid = orm.Dict(
+            list(self.ctx.outgrid.get_dict().values())[0])
         if 'outgrid_nest' in self.inputs:
-            builder.outgrid_nest = self.inputs.outgrid_nest
+            builder.outgrid_nest = orm.Dict(
+                list(self.inputs.outgrid_nest.get_dict().values())[0])
         builder.species = self.ctx.species
         builder.land_use = self.ctx.land_use
         builder.meteo_path = self.inputs.meteo_path
@@ -329,9 +354,11 @@ def run_ifs_simulation(self):
             'command': orm.Dict(dict=new_dict),
         }
 
-        builder.outgrid = self.ctx.outgrid
+        builder.outgrid = orm.Dict(
+            list(self.ctx.outgrid.get_dict().values())[0])
         if 'outgrid_nest' in self.inputs:
-            builder.outgrid_nest = self.inputs.outgrid_nest
+            builder.outgrid_nest = orm.Dict(
+                list(self.inputs.outgrid_nest.get_dict().values())[0])
         builder.species = self.ctx.species
         builder.land_use = self.inputs.land_use_ifs