Test with flux

.github/workflows/amorphouspy_api.yml

@@ -35,9 +35,12 @@ jobs:
       - name: Run integration test
         shell: bash -l {0}
         working-directory: amorphouspy_api
-        run: |
+        run: >
+          flux start 
           amorphouspy_INTEGRATION=1 uvicorn amorphouspy_api.app:app --port 8002 &
           pytest -m integration -s --durations=0 --cov=src/amorphouspy_api --cov-report=xml --cov-report=term --cov-append
+        env:
+          EXECUTOR_TYPE: "flux"
 
       - name: Pytest coverage comment
         uses: MishaKav/pytest-coverage-comment@main

amorphouspy_api/src/amorphouspy_api/jobs.py

@@ -37,6 +37,10 @@ def get_executor_class() -> type:
         from executorlib import SlurmClusterExecutor
 
         return SlurmClusterExecutor
+    elif executor_type == "flux":
+        from executorlib import FluxClusterExecutor
+
+        return FluxClusterExecutor
     else:
         # Use TestClusterExecutor for local - it supports wait=False
         # (SingleNodeExecutor does not support wait=False)

environment.yml

@@ -6,6 +6,7 @@ dependencies:
   - ase >=3.25.0
   - cryptography =45.0.7
   - executorlib >=1.8.0
+  - flux-core >=0.81.0
   - hatchling
   - jupyter
   - lammps =2024.08.29=*_openmpi_*