pmitev/Teoroo-singularity:pp2

$ singularity pull shub://pmitev/Teoroo-singularity:pp2

Singularity Recipe

Bootstrap:  docker
From: ubuntu:18.04

%runscript
  export PATH=/usr/local/bin:$PATH
  export XDG_RUNTIME_DIR=/tmp/.jupyter_$(uuidgen)
  /usr/bin/env python2 $@

%environment
  export PYTHONNOUSERSITE=True

%post
export DEBIAN_FRONTEND=noninteractive
#  echo 'PYTHONNOUSERSITE=True' >> $SINGULARITY_ENVIRONMENT

  apt-get update && apt-get install -y python-dev  python-pip  python-tk \
                            build-essential bash-completion less uuid-runtime libopenblas-dev csh openssh-client rsh-client \
                            gawk mc vim cython sqlite  && rm -rf /var/lib/apt/lists/*

  
/usr/bin/env python2 -m  pip install --upgrade pip
/usr/bin/env python2 -m  pip install --upgrade ase
/usr/bin/env python2 -m  pip install --upgrade pymatgen
/usr/bin/env python2 -m  pip install --upgrade phonopy
/usr/bin/env python2 -m  pip install --upgrade lxml
/usr/bin/env python2 -m  pip install --upgrade numba
/usr/bin/env python2 -m  pip install --upgrade pp

Collection

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

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