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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
78abe6505e94d59aaeebc293bb2f1a419a9b9ecba10dab7fc5060e9e42df1007RUN
/bin/sh
05/29/2022 7:23 PM UTC
dd3b282ea77c763ef455db7d87ca76211bcddc91d9ec0305236e0fc826625667COPY
dir:5557048e6075b526bbe4b21e8dd57dd7930bb38ff01358837435776fdb687461 in /usr/local/cp2k/lib
05/29/2022 7:23 PM UTC
baeb14924e87fa9be660dddfdac96ab48d39d4f35f02f1b7840dd82a48661cabCOPY
dir:e59f239dff6a09541b1216b8d763ff504f38769160bd299e693461dc5279db91 in /usr/local/cp2k/exe
05/29/2022 7:22 PM UTC
4dc020983852ab762c297d894481a20db221e369270187d17ea4b9057f9b0fc7COPY
file:a90abef87d8530edc14ecb6cf6b8f5fd276326ba86cf452090e5537f02dc9764 in /bin/binder.sh
05/29/2022 7:22 PM UTC
a793c74f2f3766c6f52f6da11607a4b9ab737f03764a9814f67b72ea3f589505RUN
apt-get update -y &&
  DEBIAN_FRONTEND=noninteractive apt-get install -y --no-install-recommends libgfortran5 libnvtoolsext1 libomp5 python time &&
  rm -rf /var/lib/apt/lists/*
05/29/2022 7:22 PM UTC
747bb6678293d7e10d5dc436995688011635e10936401b1d9a90c6263e0f3a53RUN
ln -sf /usr/local/cuda-11.2 /usr/local/cuda
05/29/2022 7:22 PM UTC
913b68c33d3fdd3f51b4013e2206df0590ef2fd7aec4752798a410acd05ca817ENV
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
05/29/2022 7:22 PM UTC
d885886bcac5845084ae0f18d4c25433f02f8431297db62f29a41f2337607e6eENTRYPOINT
/usr/bin/nventry
05/29/2022 7:22 PM UTC
8ca13812da9fc1a20c4c537e0b45381c4b5d1ca7cd68e7c20b6fbed87415c826COPY
file:b24c557a750ad68d818204b07988269fc237aa0a39c25edfe26d1bfb3bcc649b in /usr/bin/nventry
05/29/2022 7:22 PM UTC
b396b4d06f3cafb1873d4d937d0ca2bca285716dfc9846293b7c9bf4e18a931aRUN
ldconfig
05/29/2022 7:22 PM UTC

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