pmitev/Teoroo-singularity:1804

$ singularity pull shub://pmitev/Teoroo-singularity:1804

Singularity Recipe

Bootstrap:  docker
From: ubuntu:18.04

%runscript
  export PATH=/usr/local/bin:$PATH
  export XDG_RUNTIME_DIR=/tmp/.run_$(uuidgen)
  /bin/bash

%setup


%files

%environment
  export PYTHONNOUSERSITE=True
%post
  apt-get update && apt-get install -y \
    bash-completion \
    build-essential \
    bzip2 \
    csh \
    curl \
    cython \
    elinks \
    evince \
    expect \
    gawk \
    gfortran \
    git \
    gnuplot \
    libgmp3-dev \
    grace \
    gv \
    htop \
    imagemagick \
    inkscape \
    libopenblas-dev \
    libnuma1 \
    locales \
    lsof \
    mc \
    ncdu \
    netcat-openbsd \
    nload \
    octave \
    pandoc \
    pbzip2 \
    pv \
    python3-dev python3-pip python3-tk \
    rsh-client \
    screen \
    spyder \
    sqlite \
    sqlitebrowser \
    openssh-client \
    units \
    uuid-runtime \
    vim \
    wget \
    xclip \
&& rm -rf /var/lib/apt/lists/*

  locale-gen en_US.UTF-8 &&  update-locale

  apt-get update && apt-get install -y python3-pip python-pip

  /usr/bin/env python3 -m  pip install --no-cache-dir --upgrade pip
  /usr/bin/env python3 -m  pip install --no-cache-dir --upgrade ase
  /usr/bin/env python3 -m  pip install --no-cache-dir --upgrade nglview
  /usr/bin/env python3 -m  pip install --no-cache-dir --upgrade pymatgen
  /usr/bin/env python3 -m  pip install --no-cache-dir --upgrade phonopy
  /usr/bin/env python3 -m  pip install --no-cache-dir --upgrade jupyter
  /usr/bin/env python3 -m  pip install --no-cache-dir --upgrade notebook
  /usr/bin/env python3 -m  pip install --no-cache-dir --upgrade metakernel
  /usr/bin/env python3 -m  pip install --no-cache-dir --upgrade gnuplot_kernel
  /usr/bin/env python3 -m  pip install --no-cache-dir --upgrade fortran-magic
  /usr/bin/env python3 -m  pip install --no-cache-dir --upgrade lxml
  /usr/bin/env python3 -m  pip install --no-cache-dir --upgrade pandoc
  /usr/bin/env python3 -m  pip install --no-cache-dir --upgrade ipywidgets
  /usr/bin/env python3 -m  pip install --no-cache-dir --upgrade ipykernel
  /usr/bin/env python3 -m  pip install --no-cache-dir --upgrade gmpy
  /usr/bin/env python3 -m  ipykernel install

  /usr/bin/env python3 -m  pip install --upgrade jupyter_contrib_nbextensions
  jupyter contrib nbextension install --system
  jupyter nbextension enable codefolding/main

  /usr/bin/env python3 -m  pip install --upgrade jupyter_nbextensions_configurator
  jupyter nbextensions_configurator enable --system

  jupyter-nbextension enable nglview --py --sys-prefix

Collection

• Name: pmitev/Teoroo-singularity
• License: None

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