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Update paths

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This commit is contained in:
Matthias Krack 2025-12-22 15:03:02 +01:00
parent 4bfb9b15cf
commit 0667fa4c56
1 changed files with 2 additions and 2 deletions
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4
ci/docker/build_cp2k_spack.Dockerfile
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@ -97,14 +97,14 @@ RUN CP2K_VERSION=$(cat /CP2K_VERSION) && \
ln -sf cp2k.${CP2K_VERSION} cp2k_shell
# Update library search path
RUN echo "/opt/cp2k/lib\n/opt/spack/lib\n$(dirname $(find /opt/spack/lib -name libtorch.so 2>/dev/null || true) 2>/dev/null || true)" >/etc/ld.so.conf.d/cp2k.conf && ldconfig
RUN echo "/opt/cp2k/lib\n/opt/spack/view/lib\n$(dirname $(find /opt/spack ! -type l -name libtorch.so 2>/dev/null || true) 2>/dev/null || true)" >/etc/ld.so.conf.d/cp2k.conf && ldconfig
# Create entrypoint script file
RUN printf "#!/bin/bash\n\
ulimit -c 0 -s unlimited\n\
\
export OMP_STACKSIZE=64M\n\
export PATH=/opt/cp2k/bin:/opt/spack/bin:\${PATH}\n\
export PATH=/opt/cp2k/bin:/opt/spack/view/bin:\${PATH}\n\
exec \"\$@\"" \
>/opt/cp2k/bin/entrypoint.sh && chmod 755 /opt/cp2k/bin/entrypoint.sh