FROM ubuntu:20.04 AS builder LABEL maintainer="Navan Chauhan " \ org.label-schema.name="Curie Module" \ org.label-schema.description="https://navanchauhan.github.io/Curie" ENV DEBIAN_FRONTEND noninteractive RUN apt-get update && apt-get install -y \ git \ libopenbabel-dev \ libopenbabel6 \ pymol \ python3-distutils \ python3-lxml \ python3-openbabel \ python3-pymol \ python3-pip \ openbabel \ autodock-vina \ pandoc \ texlive-xetex \ imagemagick \ python3-rdkit \ libmysqlclient-dev \ mysql-client \ && apt-get clean && rm -rf /var/lib/apt/lists/* EXPOSE 8080 WORKDIR /curie-web COPY requirements-docker.txt /curie-web RUN python3 -m pip install -r requirements-docker.txt # Install PLIP RUN git clone https://github.com/navanchauhan/plip source \ && cd source \ && python3 setup.py install \ && cd .. \ && rm -r source COPY config.ini /curie-web COPY app /curie-web/app COPY run.py /curie-web COPY api.py /curie-web COPY lstm_chem /curie-web/lstm_chem CMD gunicorn -w 4 api:app -k uvicorn.workers.UvicornWorker -b "0.0.0.0:8080"