pyfvcom.def

Bootstrap: docker
From: condaforge/mambaforge:latest

%labels
    Author mib
    Description "PyFVCOM container"

%help
    This container includes a conda environment created via mamba from the provided environment.yml
    and an editable installation of pyfvcom cloned from:
    https://github.com/pmlmodelling/pyfvcom.git      

    The environment name is 'pyfvcom'. At runtime, the environment is on PATH automatically.

%files
    environment.yaml /opt/environment.yaml

%environment
    # Ensure the pyfvcom conda environment is active on PATH at runtime
    export CONDA_PREFIX="/opt/conda"
    export ENV_NAME="pyfvcom"
    export ENV_PATH="$CONDA_PREFIX/envs/$ENV_NAME"
    if [ -d "$ENV_PATH" ]; then
        export PATH="$ENV_PATH/bin:$PATH"
        export CONDA_DEFAULT_ENV="$ENV_NAME"
    fi

%post
    # Basic build tools and git
    apt-get update
    DEBIAN_FRONTEND=noninteractive apt-get install -y --no-install-recommends \
        git \
        build-essential \
        ca-certificates \
        pkg-config \
        && rm -rf /var/lib/apt/lists/*

    # Convenience env vars
    CONDA_PREFIX="/opt/conda"
    ENV_NAME="pyfvcom"
    ENV_PATH="$CONDA_PREFIX/envs/$ENV_NAME"

    # Make sure conda is initialized for non-interactive shells
    . "$CONDA_PREFIX/etc/profile.d/conda.sh"

    # Clone and install pyfvcom
    mkdir -p /opt/src
    cd /opt/src
    git clone -b dev https://github.com/pmlmodelling/pyfvcom.git
    cd pyfvcom
    mamba env create -f ./environment.yaml -n "$ENV_NAME"

    # Clean up conda pkgs cache to slim image (optional)
    conda clean -afy

%runscript
    # Default run: open python within the pyfvcom environment
    exec python "$@"

%test
    # Sanity check: python and pyfvcom importable
    set -e
    python -c "import sys; print(sys.version)"
    python -c "import PyFVCOM; print('pyfvcom version OK')"