added previous calc folder for ifs

aiidaplugins · Oct 20, 2023 · 15a79e5 · 15a79e5
1 parent bf5166f
commit 15a79e5
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Showing 3 changed files with 24 additions and 5 deletions.
diff --git a/aiida_flexpart/calculations/flexpart_ifs.py b/aiida_flexpart/calculations/flexpart_ifs.py
@@ -164,12 +164,17 @@ def prepare_for_submission(self, folder):
             'SPECIES'
             ))
 
-        #_DEFAULT_PARENT_CALC_FLDR_NAME = "parent_calc/"
         if "parent_calc_folder" in self.inputs:
+            computer_uuid = self.inputs.parent_calc_folder.computer.uuid
+            remote_path = self.inputs.parent_calc_folder.get_remote_path()
             calcinfo.remote_symlink_list.append((
-                         self.inputs.parent_calc_folder.computer.uuid,
-                         self.inputs.parent_calc_folder.get_remote_path(), 
-                         self._DEFAULT_PARENT_CALC_FLDR_NAME))
+                         computer_uuid,
+                         remote_path+'/header', 
+                         'header_previous'))
+            calcinfo.remote_symlink_list.append((
+                         computer_uuid,
+                         remote_path+'/partposit_inst', 
+                         'partposit_previous'))
 
 
         # Dealing with land_use input namespace.

diff --git a/aiida_flexpart/utils.py b/aiida_flexpart/utils.py
@@ -176,7 +176,13 @@ def convert_input_to_namelist_entry(key, val, mapping=None):
 
 def fill_in_template_file(folder, fname, data):
     """Create an input file based on the standard templates."""
-    with folder.open(fname, 'w') as infile:
+
+    if 'ifs' in fname:
+        fname_=fname[:-4]
+    else:
+        fname_=fname
+
+    with folder.open(fname_, 'w') as infile:
         template = jinja2.Template(
             importlib.resources.read_text('aiida_flexpart.templates',
                                           fname + '.j2'))

diff --git a/examples/example_ifs.py b/examples/example_ifs.py
@@ -59,6 +59,11 @@ def test_run(flexpart_code):
     meteo_path = orm.RemoteData(
         remote_path=f'/scratch/snx3000/{user_name}/FLEXPART_input/IFS_GL_05',
         computer=flexpart_code.computer)
+
+    #change path accordingly
+    previous_cosmo_calc = orm.RemoteData(
+        remote_path=f'/scratch/snx3000/{user_name}/aiida/9e/2c/5188-d166-4b20-a89f-b2559a83a6b1',
+        computer=flexpart_code.computer)
 
     # Set up calculation.
     calc = CalculationFactory('flexpart.ifs')
@@ -82,6 +87,9 @@ def test_run(flexpart_code):
         'surfdepo': surfdepo,
     }
 
+    #uncomment to use previous cosmo calculation
+    #builder.parent_calc_folder = previous_cosmo_calc
+
     builder.metadata.description = 'Test job submission with the aiida_flexpart plugin'
     builder.metadata.options.stash = {
         'source_list': ['aiida.out', 'grid_time_*.nc'],