No module named 'beartype' during job submission to archer2 for FabSim3-FabFlee new users

[mzrghorbani]

Description:

We are encountering an issue for new users running flee on archer2 where the module 'beartype' is not found during the job execution to archer2. This issue arises because the required Python packages are unavailable to sbatch during job execution.

Proposed Solution:

To resolve this issue, we need to modify the FabSim3 archer2 machine configuration, create a VirtualEnv on archer2 and ensure it is sourced in the FabFlee template pflee.

Steps to Implement the Solution:

1. Modify machines_user_example.yml or machines_FabFlee_user_example.yml on local machine

• Add the virtual_env_path parameter to the archer2 section.

archer2:
  ...
  virtual_env_path: /work/$project/$project/$username/VirtualEnv

2. Modify the pflee template:

• Source the virtual environment before executing the job.

source $virtual_env_path/bin/activate

3. Create and set up the VirtualEnv on archer2:

• Run necessary commands on archer2 to create and activate the virtual environment and install/upgrade beartype.

cd /work/$project/$project/$username
module load cray-python
python3 -m venv VirtualEnv
source VirtualEnv/bin/activate
pip install --upgrade pip 
pip install beartype

All other required Python packages can be installed here using 'pip install' command in the archer2 Python virtual environment.

Additional Notes:

• Ensure that the virtual_env_path is correctly set in machines_user_example.yml and that the path exists on archer2.
• Make sure to load the cray-python module before creating the virtual environment.