singularity.def

Bootstrap: docker
From: python:3.11-slim-bookworm@sha256:8dca233de9f3d9bb410665f00a4da6dd06f331083137e0e98ccf227236fcc438

%labels
    Author SESTRAV Project Contributors
    Version 2.0
    Description SESTRAV - Structural Epitope Scoring via TCR Recognition And Vaccinology

%files
    . /app

%post
    apt-get update && apt-get install -y --no-install-recommends build-essential
    apt-get clean && rm -rf /var/lib/apt/lists/*

    pip install --no-cache-dir --require-hashes -r /app/environments/requirements.lock
    mhcflurry-downloads fetch models_class1_presentation

%environment
    export LC_ALL=C.UTF-8
    export LANG=C.UTF-8

%runscript
    cd /app
    python pipeline.py "$@"

%test
    cd /app
    python -c "from src.features import TRAIN_FEATURE_COLUMNS, FEATURE_COLUMNS_31; assert len(TRAIN_FEATURE_COLUMNS) == 21; assert len(FEATURE_COLUMNS_31) == 31; print('Singularity test passed')"