#
# This file was created by generate_dockerfiles.py.
# Usage: ./spack_cache_start.sh; podman build --shm-size=1g -t spack_psmp-opensuse -f ./Dockerfile.test_spack_psmp-opensuse ../../
#

ARG BASE_IMAGE="opensuse/leap:16.0"

###### Stage 1: Build CP2K dependencies ######

FROM "${BASE_IMAGE}" AS build_deps

RUN zypper --non-interactive --quiet ref && \
    zypper --non-interactive --quiet in --no-recommends \
    bzip2 \
    cmake \
    diffutils \
    findutils \
    gcc gcc13 gcc-c++ gcc13-c++ gcc-fortran gcc13-fortran \
    git \
    gzip \
    libssh-devel \
    libopenssl-devel \
    libtool \
    lsb-release \
    make \
    patch \
    pkgconf \
    python313 \
    python313-devel \
    unzip \
    wget \
    xz \
    zstd \
    && zypper --non-interactive --quiet clean --all

ARG IMAGE_TAG
ENV IMAGE_TAG=${IMAGE_TAG:-spack_psmp-opensuse}

ARG SPACK_CACHE
ENV SPACK_CACHE="${SPACK_CACHE:-s3://spack-cache --s3-endpoint-url=http://host.containers.internal:9000}"

# Build CP2K dependencies
WORKDIR /opt/cp2k
COPY ./tools/spack ./tools/spack
COPY ./tools/docker ./tools/docker
COPY ./make_cp2k.sh .
RUN ./make_cp2k.sh -bd_only -cv psmp -gpu none -gv 13 -mpi mpich -ue 

###### Stage 2: Build CP2K ######

FROM build_deps AS build_cp2k

COPY ./src ./src
COPY ./data ./data
COPY ./tools/build_utils ./tools/build_utils
COPY ./cmake ./cmake
COPY ./CMakeLists.txt .

RUN ./make_cp2k.sh -cv psmp -gv 13 -gpu none -mpi mpich 

###### Stage 3: Install CP2K ######

FROM "${BASE_IMAGE}" AS install_cp2k

RUN zypper --non-interactive --quiet ref && \
    zypper --non-interactive --quiet in --no-recommends \
    gcc gcc13 gcc-c++ gcc13-c++ gcc-fortran gcc13-fortran \
    python313 \
    && zypper --non-interactive --quiet clean --all

WORKDIR /opt/cp2k

# Install CP2K dependencies built with spack
COPY --from=build_cp2k /opt/cp2k/spack/spack/opt/spack ./spack/spack/opt/spack

# Install CP2K
COPY --from=build_cp2k /opt/cp2k/install ./install

# Install CP2K regression tests
COPY ./tests ./tests
COPY --from=build_cp2k /opt/cp2k/src/grid/sample_tasks ./src/grid/sample_tasks

# Install CP2K/Quickstep CI benchmarks
COPY ./benchmarks/CI ./benchmarks/CI

# Do not rely only on LD_LIBRARY_PATH because it is fragile
COPY --from=build_cp2k /etc/ld.so.conf.d/cp2k.conf /etc/ld.so.conf.d/cp2k.conf
RUN ldconfig

# Run CP2K regression test
RUN /opt/cp2k/install/bin/launch /opt/cp2k/install/bin/run_tests --keepalive || echo "ERROR: Tests failed"

# Create entrypoint and finalise container build
WORKDIR /mnt
ENTRYPOINT ["/opt/cp2k/install/bin/launch"]
CMD ["cp2k", "--help", "--version"]