2020-09-22 12:54:30 +01:00
|
|
|
FROM ubuntu:20.04 AS builder
|
|
|
|
|
|
|
|
|
|
LABEL maintainer="Navan Chauhan <navanchauhan@gmail.com>" \
|
|
|
|
|
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.txt /curie-web
|
|
|
|
|
RUN python3 -m pip install -r requirements.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
|
2020-09-24 11:24:57 +01:00
|
|
|
|
|
|
|
|
COPY lstm_chem /curie-web/lstm_chem
|
|
|
|
|
|
2020-09-22 12:54:30 +01:00
|
|
|
CMD gunicorn -w 4 api:app -k uvicorn.workers.UvicornWorker -b "0.0.0.0:8080"
|
