The library is implemented entirely in Rust, including the Python API.
The library can be installed as a Python package using
shell
pip install polymers
or as Python package within a Conda environment using
shell
conda install --channel mrbuche polymers
The latest edition of the library can be installed from the main branch of the GitHub repository:
shell
git clone git@github.com:sandialabs/Polymers.git
cd Polymers/
pip install maturin
maturin build --features python
pip install target/wheels/*.whl
Docker images are available for all stable versions that have been released, as well as the latest edition. These images have everything necessary installed, and can be pulled from Docker Hub:
shell
docker pull mrbuche/polymers
as well as from the GitHub container registry:
shell
docker pull ghcr.io/sandialabs/polymers
The library can be used in an existing Rust project by adding the polymers crate as a dependency in Cargo.toml:
toml
[dependencies]
polymers = "*"
The asterisk * represents the newest released version of the crate, and should be changed to a specific version.
To use the latest edition of the library, add the main branch of the GitHub repository to Cargo.toml:
toml
[dependencies]
regex = { git = "https://github.com/sandialabs/polymers" }
Michael R. Buche. Polymers Modeling Library. Zenodo (2023).
Copyright 2022 National Technology & Engineering Solutions of Sandia, LLC (NTESS). Under the terms of Contract DE-NA0003525 with NTESS, the U.S. Government retains certain rights in this software.
