====== numkit

|docs| |build| |cov| |anaconda|

numkit is a small collection of numerical helper functions and classes ("numerical first aid kit") that have been useful for GromacsWrapper_ and related projects.

Originally, numkit was part of GromacsWrapper_ but was split off into its own small package in version 0.7.0 of GromacsWrapper.

.. _GromacsWrapper: https://gromacswrapper.readthedocs.org/

Getting numkit

Install with pip from PyPi with ::

pip install numkit

or with conda from the conda-forge channel ::

conda install -c conda-forge numkit

The source code is available under the BSD 3-clause license (see file LICENSE) from GitHub in the repository https://github.com/Becksteinlab/numkit ::

git clone https://github.com/Becksteinlab/numkit

Python support

Python 3 support for releases 3.9 - 3.12 is tested on Linux, macOS, and Windows.

(Python 2.7 and older version of Python 3 were supported up to release 1.2.3.)

Contributing

Contributions are very welcome in all forms, especially through issue reports and pull requests.

If you don't get an answer within 2 days, ping @orbeckst to send a notification.

.. |build| image:: https://github.com/Becksteinlab/numkit/actions/workflows/ci.yaml/badge.svg?branch=main :alt: Build status :target: https://github.com/Becksteinlab/numkit/actions/workflows/ci.yaml

.. |docs| image:: https://readthedocs.org/projects/numkit/badge/?version=latest :target: https://numkit.readthedocs.org/en/latest/?badge=latest :alt: Documentation

.. |cov| image:: https://codecov.io/gh/Becksteinlab/numkit/branch/main/graph/badge.svg :target: https://codecov.io/gh/Becksteinlab/numkit?branch=main :alt: Code Coverage

.. |anaconda| image:: https://anaconda.org/conda-forge/numkit/badges/version.svg :target: https://anaconda.org/conda-forge/numkit :alt: Anaconda package