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Dr. Ole Schütt - CP2K Foundation
cp2k
Container
Dr. Ole Schütt - CP2K Foundation
cp2k

A quantum chemistry and solid state physics software package

LayerLabelCreated
d7f1078da015d3dc08cbc1583efa34934d097fa1427e97ca5b2ccba336456e77RUN
/bin/sh
07/07/2023 11:25 AM UTC
e8b4605aada7f88b66ce35381e2726017905cce0cfec2b56673ffa98d57fe6fdCOPY
dir:6fc957a44125099a549d3e77972a90a11d9dc16bb55b6d093f3f5ab184d6b4c2 in /usr/local/cp2k/exe
07/07/2023 11:25 AM UTC
fcfcbc4d19a3b344c81c54b09e59b3d01836f369379220d8b39f811e856c5155COPY
dir:0db1c20e1c4ccb23196dfd88b5704bcd06ecba1cec36b25cce1b7dc62addd046 in /usr/local/cp2k/data
07/07/2023 11:25 AM UTC
0635aeae042bd972ee20390e3289b342f38877b26687f6f390cf8492cd7a2bd1COPY
file:b0a8741245e5d15aaab0743dc8e9a964f9c0058be1b4420efca0ae8927c4cc64 in /usr/bin/binder.sh
07/07/2023 11:24 AM UTC
4c06871735b842c1d714a6f3cee9387147371ab23804122e92b75635829bdc9cRUN
apt-get update -y &&
  DEBIAN_FRONTEND=noninteractive apt-get install -y --no-install-recommends libgfortran5 libnvtoolsext1 libomp5 numactl python3 time &&
  rm -rf /var/lib/apt/lists/*
07/07/2023 11:24 AM UTC
116e9abed3a4d44e1f5b9fa85cb6b0aafa8bfecc4a9c68efeb59f05c90a02782ENV
LD_LIBRARY_PATH=/usr/local/cosma/v2.5.1/lib:/usr/local/cuda/lib:/usr/local/cuda/lib64:/usr/local/fftw/lib: PATH=/usr/local/cp2k/exe/local_cuda/:/usr/local/openmpi/bin:/usr/local/ucx/bin:/usr/local/nvidia/bin:/usr/local/cuda/bin:/usr/local/sbin:/usr/local/bin:/usr/sbin:/usr/bin:/sbin:/bin
07/07/2023 11:24 AM UTC
c1bf49577b3a79cea79118190f041cf0c1a3b0c4bc8c3889e33a14778d963361ENTRYPOINT
["/usr/bin/nventry" "-try_lazy_loading"]
07/07/2023 11:24 AM UTC
15ca926166e2baac8a5574a2a68cebd7d59ed717b22da5637543080a8c42ededCOPY
file:228bcd2fab359acddc8f16d0370da826d9c9400a0a6b45267b8e8f75c8af2ae8 in /usr/bin/nventry
07/07/2023 11:24 AM UTC
ec9c63f7a2d5859b89b63dc554b1fd2f0c69f234ea776093e7c51bd926ec1b6aRUN
ldconfig
07/07/2023 11:24 AM UTC
0b85b31ebe11e626a6cd8b219ec7733a41377653f084d0b869abd3bb760d3c38RUN
mkdir /host_pwd
07/07/2023 11:24 AM UTC

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