Installation

The recommended way to install GenUtils Python is via pip or by cloning the repository directly from GitHub.

Prerequisites

  • Python 3.10+

  • pip

  • (Optional) JAX/Flax for machine learning and accelerated linear algebra

  • (Optional) TensorFlow/Keras for certain ML integrations

Install from Source (GitHub)

Since this package is hosted on GitHub, you can install it directly or clone and install.

1. Standard Development Installation (Recommended)

If you plan to modify the code or contribute:

git clone https://github.com/makskliczkowski/QuantumEigenSolver.git
cd QuantumEigenSolver/pyqusolver/Python
pip install -e ".[standard,dev,docs,ml]"

This installs the package in editable mode along with the recommended JAX/Flax stack, development tools, documentation tools, and ML utilities.

2. Minimal Installation

To simply use the library:

pip install .

3. Standard Runtime Installation

pip install ".[standard]"

The .[jax] extra remains available as a compatible alias for the same JAX/Flax-enabled stack.

Dependencies

Core dependencies (automatically installed): - numpy - scipy - matplotlib

Optional dependencies: - standard / jax: jax, jaxlib, flax, optax for accelerated linear algebra and neural networks. - pandas, scikit-learn: For machine learning utilities (via [ml] extra). - sphinx, sphinx_rtd_theme: For building documentation (via [docs] extra). - pytest, black, flake8: For testing and development (via [dev] extra).

Troubleshooting

If you encounter issues with JAX installation (especially on GPUs), please refer to the official JAX installation guide.