Update CP2K and QuantumESPRESSO codes

aiidateam / aiida-code-registry

Registry of simulation codes and computers for easy setup in AiiDA.

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Closed cpignedoli closed 2 years ago

cpignedoli commented 2 years ago

after CSCS maintenance of last week teh codes on Daint have been updated

cpignedoli commented 2 years ago

from my side they can be deleted

mbercx commented 2 years ago

Do they need to be erased?

For the QE ones: I think it's better to remove them, because I no longer find the corresponding modules on Daint:

mbercx@daint102:~> module load daint-mc
mbercx@daint102:~> module av 2>&1 | grep -i quantum 
QuantumESPRESSO/7.0-CrayIntel-21.09(default)

yakutovicha commented 2 years ago

Thanks for the comments @cpignedoli and @mbercx!

@cpignedoli can you please remove the other codes. Once this is done, I will approve/merge.