FAIR and Reproducible Code (Research Data Management/ Research Software Management)

• Michael Meinel (Deutsches Zentrum für Luft- und Raumfahrt e.V.)
• Maximilian Frank
• Tobias Schlauch (DLR / HIFIS)
• Heidi Seibold (Digital Research Academy)

Room: SE2 This workshop is organised by the German Reproducibility Network. <h3 id="title-fair-and-reproducible-code">Title: FAIR and Reproducible Code</h3> <h3 id="abstract">Abstract</h3> <p>Let’s talk about good practices in research as well as research software engineering! We love the saying “Better Software, Better Research”, but what we actually need to do in practice? In this workshop we share best practices on how to make your work FAIR and reproducible and then also discuss what that means for your project. How can I set up a reproducible project? How should I license my software? How can I make my materials findable and reusable? These and more questions will (hopefully) be answered as part of this workshop.</p> <h3 id="goals">Goals</h3> <ul> <li>Spotlight on the German Reproducibility Network</li> <li>Provide overview about current good practices</li> <li>Provide hands-on experience and implement first ideas</li> </ul> <h3 id="schedule">Schedule</h3> <table> <thead> <tr class="header"> <th>Topic</th> <th>Details</th> <th>Speaker</th> <th>Duration (min)</th> <th>Start</th> </tr> </thead> <tbody> <tr class="odd"> <td>Arrival + Welcome</td> <td>Welcome (from GRN+HIFIS)</td> <td>Tobias</td> <td>5</td> <td>09:30</td> </tr> <tr class="even"> <td>Introduction</td> <td>The GRN and the idea of the workshop</td> <td>Heidi</td> <td>10</td> <td>09:35</td> </tr> <tr class="odd"> <td>Talk session</td> <td>Short talks introducing the 4 topics (5min + questions)</td> <td>Heidi, Michael, Tobias, Max</td> <td>40</td> <td>09:45</td> </tr> <tr class="even"> <td>Break</td> <td>—</td> <td>—</td> <td>20</td> <td>10:25</td> </tr> <tr class="odd"> <td>Intro: World Cafe</td> <td>How the world cafe works</td> <td>Heidi</td> <td>5</td> <td>10:45</td> </tr> <tr class="even"> <td>World Cafe</td> <td>Participants can go to tables with experts on the 4 topics (15 minutes on each table)</td> <td>all</td> <td>65</td> <td>10:50</td> </tr> <tr class="odd"> <td>Wrap-Up</td> <td>Wrap-up (1 minute highlight per table)</td> <td>Tobias (+ Heidi, Max, Michael)</td> <td>5</td> <td>11:55</td> </tr> </tbody> </table> <h3 id="topics">Topics</h3> <p>4 topics: 4 talks + 4 world cafe tables (15min per round / per table)</p> <h4 id="setting-up-a-fair-and-reproducible-project-repository">Setting up a FAIR and reproducible project repository</h4> <ul> <li>The role of a README</li> <li>Folder structure and good naming for reproducibility and seamless collaboration</li> <li>Making contributions possible</li> <li>…</li> </ul> <p> Expert: Heidi</p> <h4 id="stabilizing-the-computing-environment">Stabilizing the computing environment</h4> <ul> <li>Docker, VM, …</li> <li>Different approaches to locking dependencies and/or environnment</li> <li>VM vs. container images vs. *.lock files</li> </ul> <p> Expert: Michael</p> <h4 id="software-and-data-licenses">Software and data licenses</h4> <ul> <li>Licenses as a integral component to make your software and data FAIR and reusable</li> </ul> <p> Expert: Tobias</p> <h4 id="reproducible-communication">Reproducible communication</h4> <ul> <li>How to communicate research outputs in a reproducible and FAIR way?</li> <li>Quarto, Shiny &amp; co.</li> </ul> <p> Expert: Max</p>

Keynote: Demystifying Entropy

• Haye Hinrichsen (Uni Würzburg)

Room: HS1 The term entropy was originally introduced by the physicist Rudolf Clausius as a quantity which describes the ability of a physical system to change its state in a thermodynamic process. But at least since the pioneering work of the mathematician Claude Shannon, entropy has also become a central concept in information theory. How are these two interpretations related? What exactly is entropy and how can we use it to understand thermodynamic quantities such as temperature? This lecture aims to provide an introductory overview of these questions in the area between computer science and physics. One focus will be the numerical estimation of entropy through sampling. As with any nonlinear estimation measure, systematic errors occur when estimating entropy, but these errors can be significantly reduced using suitable mathematical methods. The lecture also deals with the question of how these correction procedures can be implemented algorithmically.

Intro in Large-scale C/C++ code restructuring with Coccinelle (Legacy Software)

• Michele Martone (Leibniz Supercomputing Centre)

Room: SE2 NOTE: 15:20-17:10 Did you inherit a huge C or C++ research code? Are you supposed to make it faster (say you're in HPC)? Are you supposed to introduce new features (say you're in physics)? Or perhaps you want to rejuvenate this code? You estimate the code to be too large for that to be done properly or cleanly? This hands-on tutorial introduces concepts of the Coccinelle system for large-scale code analysis and restructuring. In these two hours, we will teach you what you need to start working with Coccinelle. What you need is a Linux installation or VM with a working version of Coccinelle. Basic Unix usage and C/C++ knowledge required. See https://github.com/coccinelle/coccinelle

Closing Session

• Florian Goth (Universität Würzburg)

Room: HS1