Participating AiiDA plugin developers will be shown best practices and useful tips on:
- code development practices (automated testing, continuous integration, code style checks, packaging, distribution …)
- writing reusable, robust and modular workflows
- taking full advantage of the AiiDA v1.0 API
In addition, during the event we will discuss and define common APIs for workflows for the computation of certain materials properties.
When adopted by plugin developers, these common APIs enable AiiDA users to compute a material's property using different codes without the need to know the interface of each plugin in detail.
Computational scientists that actively develop/maintain one or more AiiDA plugins (registered on the AiiDA plugin registry) in order to automate calculations with AiiDA.
Being a developer or maintainer of at least one plugin package registered on the AiiDA registry
Nicola Spallanzani, Giovanni Pizzi, Sebastiaan Huber, Francisco Ramirez, Miki Bonacci, Emanuele Bosoni, Vasily Tseplyaev, Fabio Affinito.
Giovanni Pizzi, Sebastiaan Huber, Francisco F Ramirez, Leopold Talirz, Simon Adorf, Aliaksandr Yakutovich, Casper Andersen
The tutors acknowledge financial support by PRACE and by the EU Centre of Excellence MaX “MAterials design at the eXascale” A H2020-INFRAEDI-2018-1 funded project Grant Agreement n. 824143 and by NCCR MARVEL funded by the Swiss National Science Foundation.