Dependency Management#

What are the requirements for QUEENS?#

Currently, QUEENS is only tested on UNIX systems (Ubuntu and macOS on arm64). Besides Python 3.12 or newer, QUEENS requires rsync in order to copy simulation files.

QUEENS declares its Python dependencies in pyproject.toml. For development and CI-like reproducibility, dependencies are managed with Pixi. The Pixi environments are declared in pyproject.toml and locked in pixi.lock:

  • default: core QUEENS dependencies

  • all: runtime extras without development tools

  • dev: full contributor setup, including development tools, tutorials, and 4C support

For installation information see the README.md.

Changing the requirements#

For instructions on adding, removing, or updating dependencies, see the contributing guide.