The library is implemented entirely in Rust, including the Python API. The Julia API calls the Rust library.
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
If Rust is installed, 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
The latest edition of the library can be installed as a Julia package using
julia
using Pkg
Pkg.add(url="https://github.com/sandialabs/Polymers")
Pkg.build("Polymers")
or as Julia package within a Conda environment using
shell
conda install --channel mrbuche 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.
