forked from lijiext/lammps
54 lines
1.7 KiB
Modula-2
54 lines
1.7 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 libreadline-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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# create missing readline pkgconfig file
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cat > /usr/lib/x86_64-linux-gnu/pkgconfig/readline.pc <<EOF
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prefix=/usr
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exec_prefix=/usr
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libdir=/usr/lib/x86_64-linux-gnu
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includedir=/usr/include
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Name: Readline
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Description: GNU Readline library for command line editing
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URL: http://tiswww.cwru.edu/php/chet/readline/rltop.html
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Version: 6.3
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Requires.private: tinfo
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Libs: -L\${libdir} -lreadline
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Cflags: -I\${includedir}/readline
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EOF
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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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# tell OpenMPI to not try using Infiniband
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OMPI_MCA_btl="^openib"
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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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