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aaronbrown1988/gmx.dockerfile

Last active April 1, 2019 11:05
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Gromacs Dockerfile
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gmx.dockerfile
FROM ubuntu:latest
RUN apt-get update && apt-get upgrade -y && apt-get install -y build-essential cmake git libfftw3-dev libfftw3-3
RUN git clone git://git.gromacs.org/gromacs.git gromacs
RUN mkdir build output input
WORKDIR build
RUN cmake ../gromacs
RUN make -j4
WORKDIR /output
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