Installation

Available Packages

  • Python Package - available through PyPI

  • Conda Package - available through conda-forge

  • Dockerfile - Ubuntu image with PyPEEC and Jupyter

The following optional libraries are not included in the PyPI/Conda package:

  • HPC libraries - FFTW, PyAMG, MKL/FFT, and MKL/PARDISO

  • Notebook support - JupyterLab, IPyWidgets, Trame, and ipympl

  • GPU libraries - CuPy and CUDA

Some important remarks about the PyPI/Conda packages:

  • PyPEEC packages are architecture and system independent.

  • Some dependencies are architecture and system dependent.

  • The optional HPC/GPU libraries are usually easier to install through Conda.

  • The Jupyter libraries are usually easier to install through Conda.

Using a Python Environment

# Install a Python interpreter
#   - Website: https://www.python.org/downloads
#   - Supported versions: 3.10, 3.11, 3.12, and 3.13
#   - Python executable: "python" or "python3"

# Create a Python Virtual Environment
python -m venv venv

# Activate the Python Virtual Environment
source venv/bin/activate

# Install PyPEEC from PyPI
python -m pip install pypeec

# Check that PyPEEC is available
pypeec --version

Using a Conda Environment

# Install a Conda distribution
#   - Website: https://conda-forge.org/download
#   - Miniforge is sufficient for installing PyPEEC
#   - Using mamba as a dependency solver is faster

# Create a Conda Environment with a Python interpreter
mamba create -n pypeec python=3.11 pypeec

# Activate the Conda Environment
mamba activate pypeec

# Check that PyPEEC is available
pypeec --version

Using the Docker Image

# A Dockerfile is also available for building an image
#   - Contains an Ubuntu image with PyPEEC and Jupyter
#   - The PyPEEC tutorial and examples are included
#   - The image is only intended for test purposes

# Clone the repository
git clone git@github.com:otvam/pypeec.git && cd pypeec

# Build the Docker image
docker build --tag "pypeec:latest" .

# Run the Docker image
docker run -p 8888:8888 \
    "pypeec:latest" "start-notebook.py" \
    --NotebookApp.password="" --NotebookApp.token=""

# Access Jupyter inside the Docker image
xdg-open "http://127.0.0.1:8888/lab/tree/notebook.ipynb"