Container adjustments. Convert env variable to int

Containers/VirtualFluidsCubeFlow.def

@@ -2,21 +2,24 @@ BootStrap: docker
 From: irmb/virtualfluids-python-deps-mpich
 
 %files
-    3rdParty /3rdParty
-    apps /apps
-    Python /Python
-    src /src
-    CMakeLists.txt /CMakeLists.txt
-    setup.py /setup.py
-    pyproject.toml /pyproject.toml
+    3rdParty 3rdParty
+    apps apps
+    CMake CMake
+    Python Python
+    src src
+    CMakeLists.txt CMakeLists.txt
+    cpu.cmake cpu.cmake
+    gpu.cmake gpu.cmake
+    setup.py setup.py
+    pyproject.toml pyproject.toml
 
 
 %post
     export PYTHONPATH=Python
-    python3 setup.py install
+    python3 /setup.py install
 
 %environment
-    export PYTHONPATH=Python
+    export PYTHONPATH=/Python
 
 %runscript
-    python3 Python/test_cubeflow.py
+    python3 /Python/cubeflow/simulation.py

Python/cubeflow/simulation.py

@@ -30,7 +30,7 @@ grid_params.periodic_boundary_in_x3 = True
 sim_params = SimulationParameters()
 sim_params.timestep_log_interval = 1000
 sim_params.number_of_timesteps = 50000
-sim_params.number_of_threads = os.environ.get("OMP_NUM_THREADS", 4)
+sim_params.number_of_threads = int(os.environ.get("OMP_NUM_THREADS", 4))
 
 
 def run_simulation(physical_parameters=physical_params, grid_parameters=grid_params,