By Daniel Huppmann, research scholar in the IIASA Energy Program

Daniel Huppmann sheds light on how open-source scientific software and FAIR data can bring us one step closer to a community of open science.

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Over the past decade, the open-source movement (e.g., the Free Software Foundation (FSF) and the Open Source Initiative (OSI)) has had a tremendous impact on the modeling of energy systems and climate change mitigation policies. It is now widely expected – in particular by and of early-career researchers – that data, software code, and tools supporting scientific analysis are published for transparency and reproducibility. Many journals actually require that authors make the underlying data available in line with the FAIR principles – this acronym stands for findable, accessible, interoperable, and reusable. The principles postulate best-practice guidance for scientific data stewardship. Initiatives such as Plan S, requiring all manuscripts from projects funded by the signatories to be released as open-access publications, lend further support to the push for open science.

Alas, the energy and climate modeling community has so far failed to realize and implement the full potential of the broader movement towards collaborative work and best practice of scientific software development. To live up to the expectation of truly open science, the research community needs to move beyond “only” open-source.

Until now, the main focus of the call for open and transparent research has been on releasing the final status of scientific work under an open-source license – giving others the right to inspect, reuse, modify, and share the original work. In practice, this often means simply uploading the data and source code for generating results or analysis to a service like Zenodo. This is obviously an improvement compared to the previously common “available upon reasonable request” approach. Unfortunately, the data and source code are still all too often poorly documented and do not follow best practice of scientific software development or data curation. While the research is therefore formally “open”, it is often not easily intelligible or reusable with reasonable effort by other researchers.

What do I mean by “best practice”? Imagine I implement a particular feature in a model or write a script to answer a specific research question. I then add a second feature – which inadvertently changes the behavior of the first feature. You might think that this could be easily identified and corrected. Unfortunately, given the complexity and size to which scientific software projects tend to quickly evolve, one often fails to spot the altered behavior immediately.

One solution to this risk is “continuous integration” and automated testing. This is a practice common in software development: for each new feature, we write specific tests in an as-simple-as-possible example at the same time as implementing the function or feature itself. These tests are then executed every time that a new feature is added to the model, toolbox, or software package, ensuring that existing features continue to work as expected when adding a new functionality.

Other practices that modelers and all researchers using numerical methods should follow include using version control and writing documentation throughout the development of scientific software rather than leaving this until the end. In addition, not just the manuscript and results of scientific work should be scrutinized (aka “peer review”), but such appraisal should also apply to the scientific software code written to process data and analyze model results. In addition, like the mentoring of early-career researchers, such a review should not just come at the end of a project but should be a continuous process throughout the development of the manuscript and the related analysis scripts.

In the course that I teach at TU Wien, as well as in my work on the MESSAGEix model, the Intergovernmental Panel on Climate Change Special Report on Global Warming of 1.5°C scenario ensemble, and other projects at the IIASA Energy Program, I try to explain to students and junior researchers that following such best-practice steps is in their own best interest. This is true even when it is just a master’s thesis or some coursework assignment. However, I always struggle to find the best way to convince them that following best practice is not just a noble ideal in itself, but actually helps in doing research more effectively. Only when one has experienced the panic and stress caused by a model not solving or a script not running shortly before a submission deadline can a researcher fully appreciate the benefits of well-structured code, explicit dependencies, continuous integration, tests, and good documentation.

A common trope says that your worst collaborator is yourself from six months ago, because you didn’t write enough explanatory comments in your code and you don’t respond to emails. So even though it sounds paradoxical at first, spending a bit more time following best practice of scientific software development can actually give you more time for interesting research. Moreover, when you then release your code and data under an open-source license, it is more likely that other researchers can efficiently build on your work – bringing us one step closer to a community of open science!

Note: This article gives the views of the authors, and not the position of the Nexus blog, nor of the International Institute for Applied Systems Analysis.

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