Create Dockerfile

Dockerfile

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+ARG BASE_IMAGE=mambaorg/micromamba
+ARG BASE_TAG=1.5-jammy
+ARG MAMBA_PYTHON_VERSION=3.10
+
+FROM --platform=linux/amd64 ${BASE_IMAGE}:${BASE_TAG}
+
+ARG MAMBA_PYTHON_VERSION
+ENV DEBIAN_FRONTEND=noninteractive
+WORKDIR /usr/src/app
+USER root
+RUN apt-get --allow-releaseinfo-change update \
+    && apt-get -y install --no-install-recommends \
+    apt-utils \
+    dialog 2>&1 \
+    && apt-get install -y --no-install-recommends \
+    git \
+    gpg \
+    wget \
+    man-db \
+    procps \
+    tree \
+    unzip \
+    gcc \
+    build-essential \
+    lsb-release \
+    curl \
+    vim \
+    exuberant-ctags \
+    apt-transport-https \
+    ca-certificates \
+    gnupg \
+    sudo \
+    libgl1-mesa-glx \
+    libxrender1 \
+    rsync \
+    libtiff-dev \
+    && apt-get autoclean \
+    && apt-get autoremove \
+    && rm -rf /var/lib/apt/lists/*
+# Install conda env
+RUN micromamba install -y -n base -c conda-forge \
+    pyopenssl=23.2.0 \
+    python=${MAMBA_PYTHON_VERSION} \
+    requests=2.25.1 \
+    conda-forge::boost \
+    aivant::openstructure \
+    anaconda::py-boost \
+    vina \
+    git \
+    && micromamba clean --all --yes
+
+ARG MAMBA_DOCKERFILE_ACTIVATE=1  # (otherwise python will not be found)
+ENV BASH_ENV=/usr/local/bin/_activate_current_env.sh
+ENV LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/opt/conda/lib
+
+# install dependencies
+ADD requirements.txt .
+RUN pip install --no-cache-dir -r requirements.txt
+
+EXPOSE 7860
+ENV GRADIO_SERVER_NAME="0.0.0.0"
+
+ADD . .
+
+# Prepare user
+USER $MAMBA_USER
+
+ENTRYPOINT ["/usr/local/bin/_entrypoint.sh"]
+
+CMD ["python", "inference_app.py"]