Ubermag - Research Software Engineering

Fangohr, Hans

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Ubermag - Research Software Engineering

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Fangohr, Hans
Computational Science, Scientific Service Units, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society;

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Fangohr_Hans_-_Ubermag.pdf
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HansFangohr.mp4
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Citation

Fangohr, H. (2022). Ubermag - Research Software Engineering. Talk presented at MPG-Workshop 2022 "Future Opportunities for Software in Research". Plön. 2022-05-12 - 2022-05-13.

Cite as: https://hdl.handle.net/21.11116/0000-000B-1E49-3

Abstract

Topics of this contribution: Notebook as user interface. Reproducibility, interactive documentation. Special feature of ubermag: provides domain specific language (for micromagnetic research) how to express problem, which is then translated into configuration files for the simulation engine automatically. Software engineering
github actions for CI. Unit tests, system tests.
Testing notebooks through nbval. Pre-commit hooks. Software design: connect to existing libraries where possible, such as numpy, scipy, matplotlib, pandas, k3d, recently xarray. Packaging. Pypi, conda-forge, spack?