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docker: expose MSA CPU flags#1131

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francdoc wants to merge 1 commit into
google-deepmind:mainfrom
francdoc:docker/801-pass-through-cpu-flags
Open

docker: expose MSA CPU flags#1131
francdoc wants to merge 1 commit into
google-deepmind:mainfrom
francdoc:docker/801-pass-through-cpu-flags

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@francdoc

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Fixes #801.

run_alphafold.py already supports --jackhmmer_n_cpu, --hmmsearch_n_cpu, and --hhsearch_n_cpu, but docker/run_docker.py does not expose or forward those options.

Add optional pass-through flags to the Docker launcher. When the flags are unset, no extra arguments are added and run_alphafold.py keeps using its existing defaults.

Validation:

  • git diff --check
  • python -m py_compile docker/run_docker.py
  • temporary venv: python -m pip install -r docker/requirements.txt
  • generated python docker/run_docker.py --helpshort output and verified the new flags are listed

Not performed:

  • Docker container run
  • AlphaFold runtime test
  • GPU/CUDA validation

run_alphafold.py already supports jackhmmer_n_cpu, hmmsearch_n_cpu, and hhsearch_n_cpu, but docker/run_docker.py does not expose or forward those options.\n\nAdd optional pass-through flags to the Docker launcher. When the flags are unset, no extra arguments are added and run_alphafold.py keeps using its existing defaults.\n\nFixes google-deepmind#801.
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--cpu and -cpu option not available from run_docker.py

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