Please install miniconda. Jupyter lab is needed to run Jupyter@NERSC
After installed the conda, please write following to ~/.condarc
envs_dirs:
- ~/.conda/envs
report_errors: true
Then install
source ~/miniconda3/bin/activate
conda create --name heptrkx python=3.7
conda activate heptrkx
conda install -c conda-forge jupyterlab
git clone https://github.com/xju2/heptrkx-gnn-tracking.git heptrkx
cd heptrkx
pip install -e .For your reference, I exported all packages from my setup, attached the environment.yml. Note that it may contain packages that are not used in this project.