From 6ef57a97c0648fb8ef68eda8d7d493de2e9ab80b Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?Ole=20Sch=C3=BCtt?= <ole.schuett@cp2k.org>
Date: Mon, 12 Aug 2024 14:04:14 +0200
Subject: [PATCH] Docker: Add test for GCC 14

---
 tools/docker/Dockerfile.test_gcc14   | 64 ++++++++++++++++++++++++++++
 tools/docker/cp2k-ci.conf            |  8 ++++
 tools/docker/generate_dockerfiles.py | 11 ++++-
 3 files changed, 82 insertions(+), 1 deletion(-)
 create mode 100644 tools/docker/Dockerfile.test_gcc14

diff --git a/tools/docker/Dockerfile.test_gcc14 b/tools/docker/Dockerfile.test_gcc14
new file mode 100644
index 0000000000..3521dc85ad
--- /dev/null
+++ b/tools/docker/Dockerfile.test_gcc14
@@ -0,0 +1,64 @@
+#
+# This file was created by generate_dockerfiles.py.
+# Usage: docker build -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 \
+    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
+
+# 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
diff --git a/tools/docker/cp2k-ci.conf b/tools/docker/cp2k-ci.conf
index 5c6a3f8aff..0c21a7e70a 100644
--- a/tools/docker/cp2k-ci.conf
+++ b/tools/docker/cp2k-ci.conf
@@ -202,6 +202,14 @@ nodepools:    pool-t2d-32
 build_path:   /
 dockerfile:   /tools/docker/Dockerfile.test_gcc13
 
+[gcc14]
+display_name: Ubuntu, GCC 14 (ssmp)
+tags:         daily
+cpu:          32
+nodepools:    pool-t2d-32
+build_path:   /
+dockerfile:   /tools/docker/Dockerfile.test_gcc14
+
 #-------------------------------------------------------------------------------
 
 [perf-cuda-volta]
diff --git a/tools/docker/generate_dockerfiles.py b/tools/docker/generate_dockerfiles.py
index 38fb0d3cee..8bab59a041 100755
--- a/tools/docker/generate_dockerfiles.py
+++ b/tools/docker/generate_dockerfiles.py
@@ -56,7 +56,7 @@ def main() -> None:
         with OutputFile(f"Dockerfile.test_coverage-{version}", args.check) as f:
             f.write(toolchain_full() + coverage(version))
 
-    for gcc_version in 8, 9, 10, 11, 12, 13:
+    for gcc_version in 8, 9, 10, 11, 12, 13, 14:
         with OutputFile(f"Dockerfile.test_gcc{gcc_version}", args.check) as f:
             if gcc_version > 8:
                 f.write(toolchain_ubuntu_nompi(gcc_version=gcc_version))
@@ -426,7 +426,16 @@ def toolchain_ubuntu_nompi(
     assert gcc_version > 8
     output = rf"""
 FROM {base_image}
+"""
 
+    if gcc_version > 13:
+        output += rf"""
+# Add Ubuntu universe repository.
+RUN apt-get update -qq && apt-get install -qq --no-install-recommends software-properties-common
+RUN add-apt-repository universe
+"""
+
+    output += rf"""
 # Install Ubuntu packages.
 RUN export DEBIAN_FRONTEND=noninteractive DEBCONF_NONINTERACTIVE_SEEN=true && \
     apt-get update -qq && apt-get install -qq --no-install-recommends \