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Singularity Support for noveltree

This pipeline now supports Singularity/Apptainer for HPC environments!

What was configured

  1. Singularity profile in nextflow.config with:

    • Auto-conversion from Docker images (singularity.pullDockerContainer = true)
    • Automatic cache directory for Singularity images
    • Auto-mounting of filesystems
  2. Lima VM setup for local testing (since Singularity doesn't run on macOS natively)

    • VM: apptainer-x86 with Apptainer 1.4.4
    • Nextflow 25.10.2 installed
    • Java 21 runtime

Testing Locally (macOS)

Quick Test

Run the test script:

./test_singularity.sh

This will run the pipeline's test suite with Singularity in the Lima VM.

Running on HPC

On your HPC system, simply use the singularity profile:

nextflow run Arcadia-Science/noveltree \
    -profile singularity \
    --input samplesheet.csv \
    --outdir results

HPC-Specific Configurations

You may want to customize the Singularity cache location for your HPC:

nextflow run Arcadia-Science/noveltree \
    -profile singularity \
    --input samplesheet.csv \
    --outdir results \
    -c custom.config

Where custom.config contains:

singularity {
    cacheDir = '/path/to/shared/singularity/cache'
}

How It Works

  • Docker → Singularity Auto-conversion: When you use -profile singularity, Nextflow automatically:
    1. Pulls Docker images from the specified registries
    2. Converts them to Singularity .sif format
    3. Caches them for reuse (in singularity_cache/ by default)