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Docker file that installs docker container with rdkit, ipython notebook and matplotlib
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# Docker file that installs docker container with rdkit, ipython notebook and matplotlib | |
# | |
# rename this file to "Dockerfile" | |
# build with: "sudo docker build -t rdkit ." | |
# run with: "sudo docker run -p 127.0.0.1:8889:8888 rdkit " | |
# NOTE that here port 8888 gets mapped to 8889. | |
# point your browser to http://127.0.0.1:8889/ | |
FROM saltstack/ubuntu-13.10 | |
# Add universe repository | |
RUN echo "deb http://archive.ubuntu.com/ubuntu saucy universe " >> /etc/apt/sources.list | |
RUN apt-get update | |
RUN apt-get upgrade -y | |
RUN apt-get install -y language-pack-en | |
ENV LANGUAGE en_US.UTF-8 | |
ENV LANG en_US.UTF-8 | |
ENV LC_ALL en_US.UTF-8 | |
RUN locale-gen en_US.UTF-8 | |
RUN dpkg-reconfigure locales | |
# Install rdkit, ipython notebook, matplotlib | |
RUN apt-get install -y python-rdkit librdkit1 rdkit-data | |
RUN apt-get install -y ipython-notebook | |
RUN apt-get install -y python-matplotlib | |
RUN apt-get install -y python-imaging python-cairo python-pandas | |
# Exposes default ipython notebook port | |
EXPOSE 8888 | |
# What to run | |
CMD ipython notebook --pylab=inline --ip=* |
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