numkit 1.3.1

numerical first aid kit

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.

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.