Installation

Quick install (PyPI)

To install the latest release directly from PyPI:

pip install autogen-wick

This will install the package and all dependencies. You can then use it in Python:

import autogen

Optional: install PySCF if you want to run the generated integral/einsum scripts:

pip install pyscf

Or with conda:

conda install -c conda-forge pyscf

From the repo root:

conda env create -f environment.yml
conda activate autogen

To update an existing environment:

conda env update -f environment.yml --prune
conda activate autogen

This environment installs the project in editable mode (-e .), so imports work from anywhere.

conda run -n autogen python -m build

Outputs go into dist/.