Anaconda

• load Anaconda module

module load Anaconda3/2021.11˛

• create new environment named myenvironment for python 3.9.7 for example

conda create --quiet --yes --name myenvironment python=3.9.7

• activate environment

conda activate myenvironment

• check the environment

conda env list

• install packages

conda install --quiet --yes pyyaml ipython scikit-learn tqdm

• remove environment (if you don't need it anymore)

conda env remove -n myenvironment

In your job, just specify the env that you want to use:

#!/bin/bash
#SBATCH -n 2
#SBATCH -N 2
#SBATCH -p cpu
#SBATCH --mem=XY

module load Anaconda3/2021.11

source activate myenvironment

python3 myjob.py

• change environment location in condarc

$ cat ~/.condarc
channels:
  - defaults
ssl_verify: true
envs_dirs:
  - /ceph/hpc/home/myusername/anaconda_envs
pkgs_dirs:
  - /ceph/hpc/home/myusername/anaconda_envs