forked from lijiext/lammps
39 lines
1.3 KiB
Modula-2
39 lines
1.3 KiB
Modula-2
BootStrap: docker
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From: ubuntu:16.04
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%post
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export DEBIAN_FRONTEND=noninteractive
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apt-get update
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apt-get upgrade --no-install-recommends -y
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apt-get install --no-install-recommends -y \
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bc build-essential curl doxygen vim-nox wget \
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make cmake cmake-curses-gui ninja-build git \
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rsync ssh less \
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ccache gcc g++ gfortran \
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mpi-default-bin mpi-default-dev \
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libfftw3-dev libjpeg-dev libpng12-dev libblas-dev liblapack-dev \
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python-dev libeigen3-dev libgsl-dev libopenblas-dev \
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virtualenv python3-dev python3-pip python3-pkg-resources \
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python3-setuptools python3-virtualenv \
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enchant
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# set custom prompt indicating the container name
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CUSTOM_PROMPT_ENV=/.singularity.d/env/99-zz_custom_prompt.sh
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cat >$CUSTOM_PROMPT_ENV <<EOF
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#!/bin/bash
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PS1="[ubuntu16.04:\u@\h] \W> "
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EOF
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chmod 755 $CUSTOM_PROMPT_ENV
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%environment
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LC_ALL=C
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export LC_ALL
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# restrict OpenMPI to shared memory comm by default
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OMPI_MCA_btl="tcp,self"
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# do not warn about unused components as this messes up testing
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OMPI_MCA_btl_base_warn_component_unused="0"
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export OMPI_MCA_btl OMPI_MCA_btl_base_warn_component_unused
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%labels
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Author akohlmey, rbberger
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