Create alphafold 2.2.3 cpu/NVIDIA GPU container.yaml #178
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Creating alphafold 2.2.3 module, which we have been using on Setonix. Signed-off-by: SarahBeecroft <[email protected]>
vsoch
reviewed
Dec 14, 2023
| '2.2.3': sha256:cb4af40028e49dd340403b469ff667c924672c5c1ac3caa40eb4f2c680ad74a0 | ||
| tags: | ||
| '2.2.3': sha256:cb4af40028e49dd340403b469ff667c924672c5c1ac3caa40eb4f2c680ad74a0 | ||
| aliases: |
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This looks good! For the command I would be inclined to leave out bash, and target the script directly (and make sure it has the correct hashbang at the top and is executable). Let me know what you think!
vsoch
reviewed
Dec 14, 2023
| aliases: | ||
| - name: alphafold | ||
| command: bash /app/run_alphafold.sh | ||
| singularity_options: -B /scratch/references/alphafold |
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Is this an option specific to your center?
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Yeah, this is where the reference databases live on Setonix, so it really only works on Setonix.
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Creating alphafold 2.2.3 module, which we have been using on Setonix.