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| 1 | +FROM debian:jessie |
| 2 | + |
| 3 | +USER root |
| 4 | +ARG DEBIAN_FRONTEND=noninteractive |
| 5 | + |
| 6 | +#============================================================================== |
| 7 | +# BASIC UTILITIES |
| 8 | +#============================================================================== |
| 9 | +RUN apt-get update -qqy \ |
| 10 | + && apt-get -qqy install \ |
| 11 | + apt-utils\ |
| 12 | + dialog\ |
| 13 | + less\ |
| 14 | + vim\ |
| 15 | + make\ |
| 16 | + build-essential\ |
| 17 | + git\ |
| 18 | + wget\ |
| 19 | + man-db\ |
| 20 | + && rm -rf /var/lib/apt/lists/* |
| 21 | + |
| 22 | +#============================================================================== |
| 23 | +# SLURM |
| 24 | +#============================================================================== |
| 25 | +RUN apt-get update -qqy \ |
| 26 | + && apt-get -qqy install \ |
| 27 | + slurm-llnl\ |
| 28 | + munge\ |
| 29 | + heirloom-mailx\ |
| 30 | + libslurm-dev\ |
| 31 | + slurm-drmaa-dev\ |
| 32 | + && rm -rf /var/lib/apt/lists/* |
| 33 | + |
| 34 | +# Make necessary directories: |
| 35 | +RUN mkdir /var/log/slurm/ /var/run/slurm-llnl/ \ |
| 36 | + /var/lib/slurm/ /var/lib/slurm/slurmctld/ |
| 37 | + |
| 38 | +# Make necessary files: |
| 39 | +RUN touch /var/log/slurm/slurmctld.log /var/run/slurm-llnl/slurmctld.pid |
| 40 | + |
| 41 | +# Permissions: |
| 42 | +RUN chown -R slurm /var/lib/slurm/ /var/log/slurm/ /var/run/slurm-llnl/ |
| 43 | + |
| 44 | +# Configuration file: |
| 45 | +ADD slurm.conf /etc/slurm-llnl/slurm.conf |
| 46 | + |
| 47 | +# Slurm setup: |
| 48 | +ADD slurm.sh /root/ |
| 49 | + |
| 50 | +#============================================================================== |
| 51 | +# Python / Python-DRMAA Bindings |
| 52 | +#============================================================================== |
| 53 | +RUN apt-get update -qqy \ |
| 54 | + && apt-get -qqy install \ |
| 55 | + python-dev\ |
| 56 | + python-pip\ |
| 57 | + && rm -rf /var/lib/apt/lists/* |
| 58 | + |
| 59 | +RUN pip install drmaa |
| 60 | + |
| 61 | +ENV SGE_ROOT=/var/lib/slurm |
| 62 | +ENV SGE_CELL=default |
| 63 | +ENV DRMAA_LIBRARY_PATH=/usr/lib/libdrmaa.so |
| 64 | + |
| 65 | +#============================================================================== |
| 66 | +# BLAST+ |
| 67 | +#============================================================================== |
| 68 | +RUN apt-get update -qqy \ |
| 69 | + && apt-get -qqy install \ |
| 70 | + blast2\ |
| 71 | + ncbi-blast+\ |
| 72 | + && rm -rf /var/lib/apt/lists/* |
| 73 | + |
| 74 | +#============================================================================== |
| 75 | +# NEPTUNE |
| 76 | +#============================================================================== |
| 77 | +RUN pip install --upgrade pip |
| 78 | + |
| 79 | +RUN pip install numpy |
| 80 | +RUN pip install scipy |
| 81 | +RUN pip install biopython |
| 82 | + |
| 83 | +RUN pip install tox |
| 84 | + |
| 85 | +#============================================================================== |
| 86 | +# FINISH |
| 87 | +#============================================================================== |
| 88 | +WORKDIR /root/ |
| 89 | + |
| 90 | + |
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