Installation

Poraquê targets Python 3.10+ and depends on NumPy, SciPy, and ASE.

From PyPI

pip install poraque

From source (editable)

For development, clone the repository and install in editable mode:

git clone https://github.com/seixas-research/poraque.git
cd poraque
pip install -e .

Running the tests

The test-suite uses pytest:

pip install -e .
pytest