Workshop Parallel Jupyter

Additional documentation can be found in the bwHPC Wiki: Python

Prerequisites

Participants must have already completed these basics:

• Being registered on a bwHPC cluster.
• For later practice, X11 access is needed. To enable this, please follow the login instructions of your respective cluster.
• If you are not using the bwUniCluster, you can skip the "1_Start" notebook where the JupyterLab job is set up. You can use instructions of your specific cluster instead.

Quick Start

This workshop uses a modern Python environment managed with uv. To get started:

1. Install uv (if not already installed):

   curl -LsSf https://astral.sh/uv/install.sh | sh

2. Set up the environment:

   uv sync

3. Test the environment:

   uv run python scripts/test_environment.py

4. Start Jupyter:

   uv run jupyter lab

Environment Testing

The environment is automatically tested via GitHub Actions whenever dependencies change. You can also test locally:

• Test all imports: uv run python scripts/test_environment.py
• Verify notebooks: All notebooks are automatically validated for syntax