container.def

# GPU-capable image for LLM finetune/eval, MCPP metric extraction, causal helpers, etc.
# Build: apptainer build container.sif container.def
# Run (from repo root): apptainer exec --nv container.sif bash -lc 'export PYTHONPATH="${PWD}/src" && python -m llm.finetune_bertlike ...'

Bootstrap: docker
From: nvidia/cuda:12.5.1-cudnn-devel-ubuntu22.04

%files
    llm-requirements.txt /root/cheetah-pip/requirements.txt

%post
    /bin/bash <<'CHEETAH_LLM_POST'
    set -euo pipefail
    export DEBIAN_FRONTEND=noninteractive

    mkdir -p /root/apt-tmp
    export TMPDIR=/root/apt-tmp
    mkdir -p /tmp/apt-archives/partial
    cat >/etc/apt/apt.conf.d/99cheetah-apptainer.conf <<'EOF'
Dir::Cache::archives "/tmp/apt-archives";
APT::Sandbox::User "root";
EOF

    readonly PYTHON_VERSION=3.11.9
    readonly TZ=Europe/Berlin

    ln -snf "/usr/share/zoneinfo/${TZ}" /etc/localtime && echo "${TZ}" > /etc/timezone

    apt-get update
    apt-get install -y --no-install-recommends \
        ca-certificates curl git locales time unzip wget zip

    mkdir -p /usr/share/man/man1
    apt-get install -y --no-install-recommends \
        build-essential gfortran libbz2-dev libc6-dev libffi-dev libgdbm-dev \
        libncursesw5-dev libreadline-dev libsqlite3-dev \
        libssl-dev tar tk-dev zlib1g-dev \
        p7zip-full wget

    cd /
    wget -q "https://www.python.org/ftp/python/${PYTHON_VERSION}/Python-${PYTHON_VERSION}.tar.xz"
    tar -xf "Python-${PYTHON_VERSION}.tar.xz"
    cd "Python-${PYTHON_VERSION}"
    ./configure --enable-optimizations
    make -j "$(nproc)"
    make install
    ln -sf /usr/local/bin/python3 /usr/bin/python
    ln -sf /usr/local/bin/pip3 /usr/bin/pip
    cd /
    rm -rf "Python-${PYTHON_VERSION}" "Python-${PYTHON_VERSION}.tar.xz"

    pip install --no-cache-dir --upgrade pip setuptools wheel

    python -m venv /opt/llm-venv
    # shellcheck disable=SC1091
    source /opt/llm-venv/bin/activate
    pip install --no-cache-dir -r /root/cheetah-pip/requirements.txt
    deactivate || true
    rm -rf /root/cheetah-pip
    rm -rf /root/apt-tmp /tmp/apt-archives

    apt-get clean
    rm -rf /var/lib/apt/lists/*
CHEETAH_LLM_POST

%environment
    export TZ=Europe/Berlin
    export LC_ALL=C.UTF-8
    export PYTHONDONTWRITEBYTECODE=1
    export PYTHONUNBUFFERED=1
    export PATH="/opt/llm-venv/bin:${PATH}"

%runscript
    exec "$@"