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aiidateam / aiida-code-registry

Registry of simulation codes and computers for easy setup in AiiDA.
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add cp2k7.1 on fidis as compiled by SCITAS #73

Closed mpougin closed 1 year ago

mpougin commented 1 year ago

setup for cp2k7.1 on fidis.epfl.ch

mpougin commented 1 year ago

The modules for cp2k5.1 were removed from fidis. I think we can delete the setup file for cp2k5.1 as it is not working anymore like this?

mpougin commented 1 year ago

for cp2k5.1 source /ssoft/spack/bin/slmodules.sh -r deprecated is added before loading the modules. The command is not working for me (for some reason I cannot source the file though it is there?), so I removed it in the cp2k7.1.yaml

yakutovicha commented 1 year ago

The modules for cp2k5.1 were removed from fidis. I think we can delete the setup file for cp2k5.1 as it is not working anymore like this?

Feel free to make a PR :)