Author: Sebastian Lührs ¶

Create your own Jupyter CONDA-Kernel¶

Often the standard kernel do not provide all features you need for your work. This might be that certain modules are not loaded or packages are not installed. With your own kernel you can overcome that problem easily and define your own environment, in which you work.

This notebook shows you how you can build your own kernel for a conda environment.

Building your own Jupyter CONDA-kernel is a three step process¶

Download Minconda installer

Download/Install Miniconda
- Miniconda3.sh
Create Conda Environment
- conda create
Create/Edit launch script for the Jupyter kernel
- kernel.sh
Create/Edit Jupyter kernel configuration
- kernel.json

Settings¶

Selectable CONDA_TARGET_DIR path for the central conda installation, should be in the project filesystem

export CONDA_TARGET_DIR=${HOME}/PROJECT_training2005/testdir/miniconda3

Selectable CONDA_ENV name, will be used to specify the environment name

must be lowercase

CONDA_ENV=my_env

export CONDA_ENV=$(echo "${CONDA_ENV}" | awk '{print tolower($0)}')
echo ${CONDA_ENV} # double check

1. Download/Install Miniconda¶

Start here if you want to run the full installation. If you want to create another environment in an existing conda setup go to create environment. If you want to attach yourself to an existing environment go to create user kernel.

1.1 - Download Minconda installer

wget --output-document=$HOME/Miniconda3.sh https://repo.continuum.io/miniconda/Miniconda3-latest-Linux-x86_64.sh

1.2 - Create target directory

mkdir -p ${CONDA_TARGET_DIR}

1.3 - Install Miniconda

bash $HOME/Miniconda3.sh -b -u -p ${CONDA_TARGET_DIR}

${CONDA_TARGET_DIR}/bin/conda init bash

1.4 - Disable automatic activation

${CONDA_TARGET_DIR}/bin/conda config --set auto_activate_base false

2. Create conda environment¶

Create new conda environment. The following steps can be repeated if multiple environments should be created. If the Python version differ towards the external Python version, a mix of Conda modules and external modules will not be possible

${CONDA_TARGET_DIR}/bin/conda create -n ${CONDA_ENV} -y python=3.6.8 ipykernel

3. Create/Edit launch script for the Jupyter kernel¶

3.1 - Create kernel to allow access to the conda environment. Adapte module purge and PYTHONPATH according to the comments.

echo '#!/bin/bash

# module purge # optional to disable the external environment, necessary, if python version is different
 
# Activate your Python virtual environment
source '"${CONDA_TARGET_DIR}"'/bin/activate '"${CONDA_ENV}"'
    
# Ensure python packages installed in conda are always prefered, not necessary if module purge is used
export PYTHONPATH=${CONDA_PREFIX}/lib/python3.6/site-packages:${PYTHONPATH}
    
exec python -m ipykernel $@' > ${CONDA_TARGET_DIR}/envs/${CONDA_ENV}/kernel.sh

chmod +x ${CONDA_TARGET_DIR}/envs/${CONDA_ENV}/kernel.sh

4. Create/Edit Jupyter kernel configuration¶

4.1 - Create user kernel, if you want to access the conda environment of a colleague, only these steps are necessary

mkdir -p $HOME/.local/share/jupyter/kernels/conda_${CONDA_ENV}

4.2 - Adjust kernel.json file

echo '{
 "argv": [
  "'"${CONDA_TARGET_DIR}"'/envs/'"${CONDA_ENV}"'/kernel.sh",
  "-f",
  "{connection_file}"
 ],
 "display_name": "conda_'"${CONDA_ENV}"'",
 "language": "python"
}' > $HOME/.local/share/jupyter/kernels/conda_${CONDA_ENV}/kernel.json

Restart of JupyterLab might be necessary to see the kernel in the kernel selection overview.

Author: Sebastian Lührs¶