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