// Manifest for Nextflow metadata
manifest {
    name = 'BioEmu-Nextflow'
    author = 'Generated from BioEmu repository'
    homePage = 'https://github.com/microsoft/bioemu'
    description = 'Nextflow pipeline for BioEmu - Biomolecular Emulator for protein structure sampling'
    mainScript = 'main.nf'
    version = '1.0.0'
}

// Global default parameters
params {
    fasta = "/mnt/OmicNAS/private/old/olamide/bioemu/input/villin_headpiece.fasta"
    outdir = "/mnt/OmicNAS/private/old/olamide/bioemu/output"
    cache_dir = "/mnt/OmicNAS/private/old/olamide/bioemu/cache"
    num_samples = 10
    batch_size_100 = 10
}

// Container configurations
docker {
    enabled = true
    runOptions = '--gpus all'
}

// Process configurations
process {
    cpus = 1
    memory = '8 GB'
}

// Execution configurations
executor {
    $local {
        cpus = 4
        memory = '8 GB'
    }
}