There are two main recommendations for using Python on JSC machines:

1. Use the module environment to load major Python modules: https://apps.fz-juelich.de/jsc/hps/jureca/compile.html#python
2. Use Python virtual environments on $PROJECT or $SCRATCH

For starting up Python on JSC machines, run the following module commands

module load Python
module load SciPy-Stack

# Plotting
module load matplotlib
module load PyQt5

This will provide with you a reasonably large set of Python modules on JSC machines.

Looking for Python modules on JSC machines

Maybe the general Python configuration does not provide all the Python modules you need. Then, you can take the following steps. The example supposes you are looking for a Python module called pyxyz.

1. Search for a JSC module containing the Python module: module keyword pyxyz. If you find one, for example called XYZ/2024, load the module using module load XYZ/2024
2. As a fallback option, you may have to use pip to install a Python package. Before using pip, make a Python virtual environment under $PROJECT/$USER: python -m venv $PROJECT/$USER/pyvenv and activate it (source $PROJECT/$USER/pyvenv/bin/activate). Then, you can safely run the pip install command, i.e. pip install pyxyz. This way the Python module will not be saved in $HOME, where there is not much space. The Python virtual environment can be switched off by the command deactivate.