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auraoupa authored Jul 22, 2024
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# Build stage with Spack pre-installed and ready to be used
FROM spack/ubuntu-jammy:0.21 as builder


# What we want to install and how we want to install it
# is specified in a manifest file (spack.yaml)
RUN mkdir /opt/spack-environment \
&& (echo spack: \
&& echo ' packages:' \
&& echo ' all:' \
&& echo ' compiler: [intel@15.0.0]' \
&& echo ' specs:' \
&& echo ' - boost@1.80.0+log+program_options' \
&& echo ' - cmake@3.27.7' \
&& echo ' - eigen@3.4.0' \
&& echo ' - intel-mkl' \
&& echo ' - hdf5@1.14.3' \
&& echo ' - netcdf-c@4.9.2+mpi+parallel-netcdf' \
&& echo ' - netcdf-cxx4@4.3.1' \
&& echo ' - netcdf-fortran' \
&& echo ' - openmpi@4.1.6' \
&& echo ' - zlib-ng@2.1.4' \
&& echo ' concretizer:' \
&& echo ' unify: true' \
&& echo ' config:' \
&& echo ' install_missing_compilers: true' \
&& echo ' install_tree: /opt/software' \
&& echo ' view: /opt/views/view') > /opt/spack-environment/spack.yaml

# Install the software, remove unnecessary deps
RUN cd /opt/spack-environment && spack env activate . && spack install --fail-fast && spack gc -y

# install perl URI lib
RUN apt update && apt install -y libany-uri-escape-perl

# download and install xios
COPY install-xios.sh .
RUN spack env activate /opt/spack-environment && bash install-xios.sh

# Strip all the binaries
RUN find -L /opt/views/view/* -type f -exec readlink -f '{}' \; | \
xargs file -i | \
grep 'charset=binary' | \
grep 'x-executable\|x-archive\|x-sharedlib' | \
awk -F: '{print $1}' | xargs strip

# Modifications to the environment that are necessary to run
RUN cd /opt/spack-environment && \
spack env activate --sh -d . > activate.sh

# Bare OS image to run the installed executables
FROM ubuntu:22.04

COPY --from=builder /opt/spack-environment /opt/spack-environment
COPY --from=builder /opt/software /opt/software
COPY --from=builder /xios /xios
COPY --from=builder /usr /usr

# paths.view is a symlink, so copy the parent to avoid dereferencing and duplicating it
COPY --from=builder /opt/views /opt/views

RUN { \
echo '#!/bin/sh' \
&& echo '.' /opt/spack-environment/activate.sh \
&& echo 'exec "$@"'; \
} > /entrypoint.sh \
&& chmod a+x /entrypoint.sh \
&& ln -s /opt/views/view /opt/view \
&& apt update && apt install -y ca-certificates python3-dev python3-netcdf4


ENTRYPOINT [ "/entrypoint.sh" ]
CMD [ "/bin/bash" ]

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