Parsing AiiDA archive content in NOMAD

NOMAD and FAIRmat
1

Hello,

Is it possible to extract and parse the content of an AiiDA archive (Quantum-Espresso results) in NOMAD?

Thanks,
Alex

2

Hi @Alexander_Belozerov

Thanks for getting in touch.

No, it is not possible to parse the content of an AiiDA archive, although this was in our agenda for some time, we didn’t write any parser yet. If you upload everything now, only the QuantumESPRESSO files will be recognized, but not the workflow defined by AiiDA.

If you have some example at hand, we could use it to provide support. Later on, we can help other users with the AiiDA workflow and improve our parsing with more examples.

What do you think? If so, I would propose some work plan for it.

Best,
Jose