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ResolvePackageNotFound error #36

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dogunter opened this issue Aug 8, 2022 · 3 comments
Open

ResolvePackageNotFound error #36

dogunter opened this issue Aug 8, 2022 · 3 comments

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@dogunter
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dogunter commented Aug 8, 2022

Everything proceeds for the install until I reach this step:

$ conda env create -f env.yml
Collecting package metadata (repodata.json): done
Solving environment: failed

ResolvePackageNotFound: 
  - pytorch=1.8.1
  - pymatgen=2020.12.31
@sparticlesteve
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Hi @dogunter. Which benchmark is this for?

@dogunter
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dogunter commented Aug 9, 2022

Open Catalyst

@sparticlesteve
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Argh, sorry, these instructions are in serious need of update.
Those were mostly just copied from the upstream repository.
I'll work on this, but in the meantime you may have better luck with this updated version: https://github.com/Open-Catalyst-Project/ocp/blob/main/INSTALL.md
Or even better would be to use the docker container sfarrell/mlperf-ocp:latest available on dockerhub.
I primarily run with that container on NERSC systems using this script: https://github.com/mlcommons/hpc/blob/main/open_catalyst/scripts/train_pm_shifter.sh

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