sokrypton / sokrypton/ColabFold

update container to support gpuserver

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Description

I made an apptainer container from:
ghcr.io/sokrypton/colabfold:1.5.5-cuda12.2.2

When I run colabfold_search

I get the error:

colabfold_search [-h] [-s S] [--db1 DB1] [--db2 DB2] [--db3 DB3]
                          [--use-env {0,1}] [--use-templates {0,1}]
                          [--filter {0,1}] [--mmseqs MMSEQS]
                          [--expand-eval EXPAND_EVAL] [--align-eval ALIGN_EVAL]
                          [--diff DIFF] [--qsc QSC] [--max-accept MAX_ACCEPT]
                          [--pairing_strategy PAIRING_STRATEGY]
                          [--db-load-mode DB_LOAD_MODE] [--threads THREADS]
                          query dbbase base
  colabfold_search: error: unrecognized arguments: --gpu-server --prefilter-mode --gpu cleaned_contigs.fasta /data/sequence_databases/colabfold_db msas

I guess because the container has not been updated with recent releases that inculde colabfold_search --gpu-server

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First steps

  1. Read the whole issue, then the project's contributing guide.
  2. Comment on the issue to say you are picking it up — it saves two people doing the same work.
  3. Fork the repository and make your change on a branch.
  4. Open a pull request that references the issue number.

Research direction

Start by locating the Apptainer container definition used for ghcr.io/sokrypton/colabfold:1.5.5-cuda12.2.2 and inspect how colabfold_search is installed. Reproduce the shown command and compare the available options with the requested --gpu-server, --prefilter-mode, and --gpu arguments. Done means the container accepts that command without the unrecognized-arguments error.

Written by the indexing model from the issue text.

Assessment

Tech stack
github
Domain
bioinformatics, devops
Issue type
Feature
Difficulty
3/5
Estimated time
1-2 days
Activity status
Stale
Clarity
Needs clarification
Newbie friendliness
25/100

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