How to setup the Python environment#

Fang Han

Sept 19, 2024

0 mins read

Attention

This environment setup should only be done once. You don’t need to do this every time

1. Start with a clean python installation with the intel-toolchain#

Note

A clean installation is needed to avoid any conflicts.

1.1 Load modules first#

type the followign and press return

ml intel gcccore/11.2.0 python/3.9.6-bare hdf5/1.14.1

1.2 Uninstall the user-installed packages#

To uninstall, enter the following command

pip freeze --user | xargs pip uninstall -y

You should only see pip and setuptools if you do pip list

2. Install mpi4py and h5py parallel version#

Note

Our package relies on Python-3.9.6+

3. Install the Python packages#

use pip to install the corresponding modules