AiiDA
Automated Interactive Infrastructure and Database for Computational Science


Journal article  G. Pizzi et al. Comp. Mat. Sci. 111, 218-230 (2016)
Open access preprint  arXiv:1504.0116 [physics.comp-ph]

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AiiDA Hackathon: developing code plugins and robust scientific workflows @ Cineca, Bologna, Italy

👤 🕔 January 22, 2020 Comments Off on AiiDA Hackathon: developing code plugins and robust scientific workflows @ Cineca, Bologna, Italy

The hackathon will take place from February 17  to 21 at Cineca: Via Magnanelli, 6/3, 40033 Casalecchio di Reno, Italy.
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 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.

Program

  • The workshop will start on February 17th at 15:00 and will finish on February 21st at 12:00
  • Welcome and registration on 17th will be open from 14:30
  • The current tentative program can be found on the PRACE website

Target audience
Computational scientists that already actively or plan to develop/maintain one or more AiiDA plugins (registered on the AiiDA plugin registry), in order to automate calculations with AiiDA.

Prerequisites
Being experienced with using AiiDA in general and familiar with developing calculation plugins and workflows

Registration
* Link: https://events.prace-ri.eu/event/957/overview
* Deadline: February 1st

Financial
* Subscription is free
* Travel costs may be partially reimbursed for qualifying applicants whose institution cannot reimburse.
For questions contact Francisco Ramirez (francisco.ramirez@epfl.ch) or Sebastiaan Huber (sebastiaan.huber@epfl.ch)

Organizers
Nicola Spallanzani, Giovanni Pizzi, Sebastiaan Huber, Francisco Ramirez, Miki Bonacci, Emanuele Bosoni, Vasily Tseplyaev, Fabio Affinito.

Acknowledgements

We 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.