Maximilian Albert

Hans Fangohr, Maximilian Albert, Matteo Franchin

We review design and development decisions and their impact for the open source code Nmag from a software engineering in computational science point of view. We summarise lessons learned and recommendations for future computational science projects. Key lessons include that encapsulating the simulation functionality in a library of a general purpose language, here Python, provides great flexibility in using the software. The choice of Python for the top-level user interface was very well received by users from the science and engineering community. The from-source installation in which required external libraries and dependencies are compiled from a tarball was remarkably robust. In places, the code is a lot more ambitious than necessary, which introduces unnecessary complexity and reduces main- tainability. Tests distributed with the package are useful, although more unit tests and continuous integration would have been desirable. The detailed documentation, together with a tutorial for the usage of the system, was perceived as one of its main strengths by the community.

Hans Fangohr, Vidar Fauske, Thomas Kluyver et al.

The Notebook validation tool nbval allows to load and execute Python code from a Jupyter notebook file. While computing outputs from the cells in the notebook, these outputs are compared with the outputs saved in the notebook file, treating each cell as a test. Deviations are reported as test failures, with various configuration options available to control the behaviour. Application use cases include the validation of notebook-based documentation, tutorials and textbooks, as well as the use of notebooks as additional unit, integration and system tests for the libraries that are used in the notebook. Nbval is implemented as a plugin for the pytest testing software.