FROM mambaorg/micromamba:2.1.1

USER root

COPY ./app /app

ARG MAMBA_DOCKERFILE_ACTIVATE=1 

RUN micromamba install -n base -y -c conda-forge --channel-priority flexible \
        python=3.12 \
        numpy \
        "pandas<3" \
        scikit-learn \
        parallelbar \
        zarr=3.0.7 \
        onnxruntime \
        procps-ng && \
    pip install \
        /app/bitexpand-0.1.0-cp38-abi3-manylinux_2_17_x86_64.manylinux2014_x86_64.whl \
        /app/mol_fingerprint-0.1.0-cp312-cp312-manylinux_2_34_x86_64.whl