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CEA INAC
BigDFT
Container
CEA INAC
BigDFT

BigDFT is a DFT massively parallel electronic structure code using a wavelet basis set with the capability to use a linear scaling method.

LayerLabelCreated
sha256:311a64741ed9694d4d90d8348fd8b20f3298e22d430c2a8587a2229948d36d75RUN
MPLBACKEND=Agg python -c "import matplotlib.pyplot"
05/22/2018 7:21 PM UTC
sha256:a3ed95caeb02ffe68cdd9fd84406680ae93d633cb16422d00e8a7c22955b46d4ENV
XDG_CACHE_HOME=/home/bigdft/.cache/
05/22/2018 7:21 PM UTC
sha256:a3ed95caeb02ffe68cdd9fd84406680ae93d633cb16422d00e8a7c22955b46d4USER
bigdft
05/22/2018 7:21 PM UTC
sha256:51f8e77c3e4c01d9393bcc9f10737aef32f49d0314a264f7c818443656e3be79RUN
useradd -ms /bin/bash bigdft
05/22/2018 7:21 PM UTC
sha256:c3dc8b6bfbb288e95182a7c76b246bac283822cc850fb9c75502b739346d222fRUN
echo "/usr/local/bigdft/lib" > /etc/ld.so.conf.d/bigdft.conf &&
  echo "/usr/local/intel/mkl/lib/intel64" >> /etc/ld.so.conf.d/intel.conf &&
  echo '/usr/local/intel/compiler/lib/intel64' >> /etc/ld.so.conf.d/intel.conf &&
  ldconfig
05/22/2018 7:21 PM UTC
sha256:2f9a992e461d99b150f99dcea951f43c4c34b03ad1648e7f22709a3b21f99e68RUN
rm -rf $(find / | perl -ne 'print if /[^[:ascii:]]/')
05/22/2018 7:21 PM UTC
sha256:9e601d4535ce49776d2d45e03a803d48597ea3d826dfa679b275293d4350267dRUN
apt-get remove -y --purge build-essential python-setuptools &&
  apt-get clean &&
  apt-get autoremove -y &&
  rm -rf /var/lib/apt/lists/
05/22/2018 7:21 PM UTC
sha256:a3ed95caeb02ffe68cdd9fd84406680ae93d633cb16422d00e8a7c22955b46d4CMD
["/bin/sh" "-c" "jupyter-notebook --ip=0.0.0.0 --allow-root --NotebookApp.token=bigdft --no-browser"]
05/22/2018 7:21 PM UTC
sha256:a3ed95caeb02ffe68cdd9fd84406680ae93d633cb16422d00e8a7c22955b46d4EXPOSE
8888
05/22/2018 7:21 PM UTC
sha256:fb3401ae3e3a2b1790729e034641a01cb31732b447b7c229457d2e4bbbca56d2RUN
MPLBACKEND=Agg python -c "import matplotlib.pyplot"
05/22/2018 7:21 PM UTC

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