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Dockerfile

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FROM nvidia/cuda:9.0-devel-ubuntu16.04 as builder
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# Update according to http://manual.gromacs.org/documentation/
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ARG GROMACS_VERSION=2018.5
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ARG GROMACS_MD5=1484e421721b7787becf6f88d23292e6
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ARG GROMACS_VERSION=2019
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ARG GROMACS_MD5=fcd283dd0fe5ceb54dd9d735d75cbc65
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ARG FFTW_VERSION=3.3.8
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ARG FFTW_MD5=8aac833c943d8e90d51b697b27d4384d

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