add aiida profile creation to ci

.github/workflows/ci.yaml

@@ -42,10 +42,12 @@ jobs:
       run: |
         pip install --upgrade pip
         pip install hatch
+        pip install . # to get verdi
     - name: Run test suite
       env:
         PYTEST_ADDOPTS: "--durations=0"
       run: |
+        verdi presto
         hatch test --cover
 
   docs:

src/wcflow/cmdline.py

@@ -1,6 +1,6 @@
 import argparse
 
-from aiida import load_profile
+from aiida.manage.configuration import load_profile
 
 from wcflow import core, wc, workgraph
 

tests/files/scripts/icon.py

@@ -7,8 +7,6 @@ def main():
     parser = argparse.ArgumentParser(description='A simple script with an optional restart argument.')
     parser.add_argument('icon_input', type=str, help='The icon input.')
     parser.add_argument('--restart', nargs='?', type=str, help='The icon restart file.')
-    #parser.add_argument('--restart', nargs='?', const='default', type=str, help='Initiate a restart operation with an optional string argument.')
-
 
     args = parser.parse_args()
 

tests/test_wc_workflow.py

@@ -1,18 +1,18 @@
 from wcflow import wc
 from wcflow import core
 from wcflow.workgraph import AiidaWorkGraph
+from aiida.manage.configuration import load_profile
 import pytest
 
 @pytest.fixture
 def small_config_path_str():
     return "tests/files/configs/test_config_small.yaml"
 
 def test_small_wc_workflow(small_config_path_str):
+    load_profile()
     wc_workflow = wc.Workflow.from_yaml(small_config_path_str)
     core_workflow: core.Workflow = wc_workflow.to_core_workflow()
 
-    from aiida import load_profile
-    load_profile()
     aiida_workgraph = AiidaWorkGraph(core_workflow)
     result = aiida_workgraph.run()
     assert result.get('execution_count') == 0