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molmod / psiflow

scalable molecular simulation
https://molmod.github.io/psiflow/
MIT License
110 stars 7 forks source link

Possible typo in README #29

Closed carajillu closed 1 month ago

carajillu commented 1 month ago

README contains the following line: python -c 'import psiflow; psiflow.setup_slurm() but the module does not seem to have that function, however psiflow.setup_slurm_config() exist and seems to do what the README file says, so I guess I'm just flagging a typo.

svandenhaute commented 1 month ago

Thanks for reporting this -- should be fixed now.

The SLURM quickstart is a new feature. We have tried to generalize the detection of the partitions and available hardware as much as possible across different clusters we have access to, but if the setup script somehow is not compatible with your HPC, please feel free to open a different issue.