Installation

Requirements

greenWTE requires Python 3.10 or higher and the NVIDIA CUDA toolkit 12 or 13 are recommended to achieve reasonable performance when using a GPU. Note that currently numpy 2.0 or higher is not compatible with CUDA. Python package requirements can be found in the pyproject.toml file. This file also contains information about what python and CUDA versions this package has been tested with.

Installation

A PyPI package is available for greenWTE. You can install it using pip:

python3 -m pip install greenWTE[cuda13x]

or for CUDA 12.x:

python3 -m pip install greenWTE[cuda12x]

You can also install greenWTE directly from the GitHub repository using pip:

python3 -m pip install "greenWTE[cuda{12,13}x] @ git+ssh://git@github.com/kremeyer/greenWTE.git"

Replacing {12,13} with your desired CUDA version.

Testing

To run the tests we clone the repository and set up a virtual environment. After that we install the dependencies and run the tests using pytest:

python3 -m pip install pytest
python3 -m pytest --pyargs greenWTE

When running the tests for the first time, some test data will be downloaded into the test folder. Some tests are skipped, if a compatible GPU is not available. They contain material properties that will also be used in the examples.