mirror of
https://github.com/cp2k/cp2k.git
synced 2026-07-29 06:35:28 -04:00
22d13e016e
Test the latest Intel oneAPI HPC Toolkit version with ssmp and psmp using the new ifx Fortran compiler. The existing Intel tests use still the old ifort compiler.
65 lines
1.8 KiB
Text
65 lines
1.8 KiB
Text
#
|
|
# This file was created by generate_dockerfiles.py.
|
|
# Usage: podman build --shm-size=1g -f ./Dockerfile.test_gcc14 ../../
|
|
#
|
|
|
|
FROM ubuntu:24.04
|
|
|
|
# Add Ubuntu universe repository.
|
|
RUN apt-get update -qq && apt-get install -qq --no-install-recommends software-properties-common
|
|
RUN add-apt-repository universe
|
|
|
|
# Install Ubuntu packages.
|
|
RUN export DEBIAN_FRONTEND=noninteractive DEBCONF_NONINTERACTIVE_SEEN=true && \
|
|
apt-get update -qq && apt-get install -qq --no-install-recommends \
|
|
cmake \
|
|
less \
|
|
nano \
|
|
make \
|
|
ninja-build \
|
|
wget \
|
|
python3 \
|
|
ca-certificates \
|
|
gcc-14 \
|
|
g++-14 \
|
|
gfortran-14 \
|
|
libfftw3-dev \
|
|
libopenblas-dev \
|
|
libint2-dev \
|
|
libxc-dev \
|
|
libhdf5-dev \
|
|
libxsmm-dev \
|
|
libspglib-f08-dev \
|
|
&& rm -rf /var/lib/apt/lists/*
|
|
|
|
# Create links in /usr/local/bin to overrule links in /usr/bin.
|
|
RUN ln -sf /usr/bin/gcc-14 /usr/local/bin/gcc && \
|
|
ln -sf /usr/bin/g++-14 /usr/local/bin/g++ && \
|
|
ln -sf /usr/bin/gfortran-14 /usr/local/bin/gfortran
|
|
|
|
# Install DBCSR
|
|
COPY ./tools/docker/scripts/install_dbcsr.sh ./
|
|
RUN ./install_dbcsr.sh ubuntu ssmp
|
|
|
|
# Install CP2K sources.
|
|
WORKDIR /opt/cp2k
|
|
COPY ./src ./src
|
|
COPY ./data ./data
|
|
COPY ./tests ./tests
|
|
COPY ./tools/build_utils ./tools/build_utils
|
|
COPY ./cmake ./cmake
|
|
COPY ./CMakeLists.txt .
|
|
|
|
# Build CP2K with CMake and run regression tests.
|
|
ARG TESTOPTS=""
|
|
COPY ./tools/docker/scripts/build_cp2k_cmake.sh ./tools/docker/scripts/test_regtest_cmake.sh ./
|
|
RUN /bin/bash -o pipefail -c " \
|
|
TESTOPTS='${TESTOPTS}' \
|
|
./test_regtest_cmake.sh ubuntu ssmp |& tee report.log && \
|
|
rm -rf regtesting"
|
|
|
|
# Output the report if the image is old and was therefore pulled from the build cache.
|
|
CMD cat $(find ./report.log -mmin +10) | sed '/^Summary:/ s/$/ (cached)/'
|
|
ENTRYPOINT []
|
|
|
|
#EOF
|