BootStrap: docker
From: ubuntu:22.04

%files
    diann-linux  /usr/local/bin/diann-linux
    libc10.so    /usr/lib/
    libgomp-98b21ff3.so.1  /usr/lib/
    libtimsdata.so  /usr/lib/
    libtorch_cpu.so  /usr/lib/
    libtorch.so  /usr/lib/

%post
    # Set timezone
    ln -fs /usr/share/zoneinfo/UTC /etc/localtime

    # Update package lists and install dependencies
    apt-get update
    apt-get install -y libgomp1 libstdc++6 libc6 locales

    # Configure locales
    locale-gen en_US.UTF-8
    echo "LANG=en_US.UTF-8" > /etc/locale.conf
    echo "LC_ALL=en_US.UTF-8" >> /etc/locale.conf

    # Clean up apt cache
    rm -rf /var/lib/apt/lists/*

    # Ensure diann-linux is executable and create a symlink
    chmod +x /usr/local/bin/diann-linux
    ln -sf /usr/local/bin/diann-linux /usr/local/bin/diann

%runscript
    exec /usr/local/bin/diann "$@"

%labels
    Author YourName
    Version 2.0.2
    Description "DiaNN container for proteomics analysis"