2020-09-22 12:54:30 +01:00
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FROM ubuntu:20.04 AS builder
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LABEL maintainer="Navan Chauhan <navanchauhan@gmail.com>" \
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org.label-schema.name="Curie Module" \
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org.label-schema.description="https://navanchauhan.github.io/Curie"
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ENV DEBIAN_FRONTEND noninteractive
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RUN apt-get update && apt-get install -y \
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git \
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libopenbabel-dev \
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libopenbabel6 \
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pymol \
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python3-distutils \
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python3-lxml \
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python3-openbabel \
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python3-pymol \
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python3-pip \
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openbabel \
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autodock-vina \
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pandoc \
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texlive-xetex \
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imagemagick \
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python3-rdkit \
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libmysqlclient-dev \
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mysql-client \
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&& apt-get clean && rm -rf /var/lib/apt/lists/*
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EXPOSE 8080
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WORKDIR /curie-web
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2020-09-24 12:11:57 +01:00
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COPY requirements-docker.txt /curie-web
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RUN python3 -m pip install -r requirements-docker.txt
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2020-09-22 12:54:30 +01:00
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# Install PLIP
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RUN git clone https://github.com/navanchauhan/plip source \
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&& cd source \
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&& python3 setup.py install \
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&& cd .. \
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&& rm -r source
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COPY config.ini /curie-web
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COPY app /curie-web/app
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COPY run.py /curie-web
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COPY api.py /curie-web
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2020-09-24 11:24:57 +01:00
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COPY lstm_chem /curie-web/lstm_chem
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2020-09-22 12:54:30 +01:00
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CMD gunicorn -w 4 api:app -k uvicorn.workers.UvicornWorker -b "0.0.0.0:8080"
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