data/Dockerfile.lite

FROM continuumio/miniconda3:24.11.1-0 AS cheminf-python-ms

# ---------- build-time proxy args ----------

ENV PYTHON_VERSION=3.11 \
    INCLUDE_OCSR=false \
    WORKERS=1 \
    PYTHONUNBUFFERED=1 \
    PYTHONDONTWRITEBYTECODE=1 \
    http_proxy=${http_proxy} \
    https_proxy=${https_proxy} \
    no_proxy=${no_proxy} \
    HTTP_PROXY=${http_proxy} \
    HTTPS_PROXY=${https_proxy} \
    NO_PROXY=${no_proxy}

# Optional: help APT when /etc/apt/apt.conf.d is respected (env is usually enough)
# RUN printf 'Acquire::http::Proxy "%s";\nAcquire::https::Proxy "%s";\n' "$http_proxy" "$https_proxy" \
#     > /etc/apt/apt.conf.d/80proxy

# Install runtime dependencies
RUN apt-get update && \
    apt-get install -y --no-install-recommends \
        software-properties-common \
        openjdk-17-jre-headless \
        curl \
        build-essential \
        wget && \
    apt-get clean && \
    rm -rf /var/lib/apt/lists/* && \
    # Create arch-independent JAVA_HOME symlink
    ln -sf /usr/lib/jvm/java-17-openjdk-$(dpkg --print-architecture) /usr/lib/jvm/java-17-openjdk && \
    wget "https://github.com/StructureGenerator/surge/releases/download/v2.0/surge-linux-x86_64.tar.gz" && \
    tar xzf surge-linux-x86_64.tar.gz && \
    mv surge /usr/bin/surge && \
    chmod +x /usr/bin/surge && \
    rm surge-linux-x86_64.tar.gz

ENV JAVA_HOME=/usr/lib/jvm/java-17-openjdk/

ARG RELEASE_VERSION=1.0
ENV RELEASE_VERSION=${RELEASE_VERSION}

WORKDIR /code
COPY requirements_lite.txt .

# conda/pip will honor proxy env above
RUN conda install -c conda-forge python=${PYTHON_VERSION} sqlite --force-reinstall && \
    python3 -m pip install --no-cache-dir -U pip setuptools && \
    pip3 install --no-cache-dir -r requirements_lite.txt && \
    pip3 install --no-cache-dir --no-deps chembl_structure_pipeline

COPY ./app /code/app

RUN useradd -m -r appuser && chown -R appuser:appuser /code
USER appuser

# ---------- runtime: keep proxies available for the app too ----------
# (pystow/urllib need them at runtime to fetch the JAR)
ENV HTTP_PROXY=${HTTP_PROXY} \
    HTTPS_PROXY=${HTTPS_PROXY} \
    NO_PROXY=${NO_PROXY} \
    http_proxy=${http_proxy} \
    https_proxy=${https_proxy} \
    no_proxy=${no_proxy}

CMD ["sh", "-c", "uvicorn app.main:app --host 0.0.0.0 --port 80 --workers ${WORKERS}"]