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vtnphan
marked this pull request as ready for review
August 14, 2026 01:10
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Closing, will be merged via #132 |
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Pull Request
Summary
SBP-487 Stages all workflow input files from S3 to Gadi via Globus before a run executes, instead of assuming Nextflow can read S3 URIs directly on Gadi.
Changes
globus_client.py,globus_transfer.py,globus_errors.py,DataTransfermodel): submits/polls Globus transfers per run and gates execution — a queued job stays"staging"until every inputDataTransferreports"completed".routes/workflows.py): the samplesheet is always staged; bindcraft'sstarting_pdb, proteinfold'sfasta, and WISPS's aggregated FASTA each get their own additional transfer, with samplesheet columns rewritten from S3 URIs to local Gadi paths where needed.bindflow_,proteindj_,proteinfold_,wisps_executor.py): consume the already-staged local path instead of building an S3 URI; prerun scripts no longer carry AWS credentials — WISPS's now receives its staged FASTA path/split dir as inline shell vars instead.sync_data_transfersjob (every 2 min) drives submission/polling.DataTransfer.provider_metadata(JSON) replaced with reusingtransfer_idfor both the pre-submission Globus submission id and the post-submission task id (removes a redundant column)..env.exampledocuments the new Globus env vars.How to Test
Manually: launch a run, confirm its
DataTransferrow(s) reach GlobusSUCCEEDED, the job flips"staging"→"pending", and staged files land on Gadi as local paths (nots3://).Type of change
Checklist