Update to Ubuntu 24.04 with GCC 13 and clang 16

buildenv/archer/Dockerfile

@@ -6,21 +6,22 @@ RUN true \
         ca-certificates \
     && rm -rf /var/lib/apt/lists/*
 
-ENV CLANGVERSION 13
+ENV CLANGVERSION=16
 
-# add llvm repository
-RUN echo "deb http://apt.llvm.org/${UBUNTUVERSION}/ llvm-toolchain-${UBUNTUVERSION}-${CLANGVERSION} main\n\
-deb-src http://apt.llvm.org/${UBUNTUVERSION}/ llvm-toolchain-${UBUNTUVERSION}-${CLANGVERSION} main" > /etc/apt/sources.list.d/llvm.list
+# Add llvm repository (can be used to get newer versions of clang)
+# RUN echo "deb http://apt.llvm.org/${UBUNTUVERSION}/ llvm-toolchain-${UBUNTUVERSION}-${CLANGVERSION} main\n\
+# deb-src http://apt.llvm.org/${UBUNTUVERSION}/ llvm-toolchain-${UBUNTUVERSION}-${CLANGVERSION} main" > /etc/apt/sources.list.d/llvm.list
 
 # add llvm repo key
-RUN wget --no-check-certificate -O - https://apt.llvm.org/llvm-snapshot.gpg.key | apt-key add -
+#  RUN wget --no-check-certificate -O - https://apt.llvm.org/llvm-snapshot.gpg.key | apt-key add -
 
 # install clang llvm and python3-dev
 RUN true \
     && apt-get -qq update \
     && apt-get -qq install -y --no-install-recommends \
         clang-${CLANGVERSION} \
         lldb-${CLANGVERSION} \
+        libclang-rt-${CLANGVERSION}-dev \
         unzip \
 	    python3-dev \
     && rm -rf /var/lib/apt/lists/*
@@ -31,7 +32,7 @@ RUN ln -s /usr/bin/clang++-${CLANGVERSION} /usr/bin/clang++
 RUN ln -s /usr/bin/llvm-config-${CLANGVERSION} /usr/bin/llvm-config
 
 # build everything in /ArcherBuild
-ENV ARCHER_BUILD /ArcherBuild
+ENV ARCHER_BUILD=/ArcherBuild
 RUN mkdir $ARCHER_BUILD
 WORKDIR $ARCHER_BUILD
 
@@ -40,17 +41,34 @@ RUN git config --global http.sslVerify false
 
 #get, build and install openmp runtime
 RUN git clone https://github.com/llvm/llvm-project --depth 1 -b release/${CLANGVERSION}.x llvm
-WORKDIR llvm/openmp
 
-ENV OPENMP_INSTALL /usr
+ENV OPENMP_INSTALL=/usr/local
 
+# Need to install llvm-config first
+WORKDIR llvm
+RUN mkdir build
+WORKDIR build
+RUN cmake -G Ninja \
+    -D LLVM_ENABLE_PROJECTS="" \
+    -D LLVM_TARGETS_TO_BUILD="X86" \
+    -D LLVM_INCLUDE_TESTS=OFF \
+    -D LLVM_INCLUDE_BENCHMARKS=OFF \
+    -D LLVM_INCLUDE_EXAMPLES=OFF \
+    -D CMAKE_BUILD_TYPE=Release \
+    -D CMAKE_INSTALL_PREFIX=${OPENMP_INSTALL} \
+    ../llvm
+RUN ninja llvm-config
+RUN ninja install
+
+# Then install llvm openmp runtime which includes archer
+WORKDIR ../openmp
 RUN mkdir build
 WORKDIR build
 RUN cmake -G Ninja \
     -D CMAKE_C_COMPILER=clang \
     -D CMAKE_CXX_COMPILER=clang++ \
     -D CMAKE_BUILD_TYPE=RELEASE \
-    -D CMAKE_INSTALL_PREFIX:PATH=${OPENMP_INSTALL} \
+    -D CMAKE_INSTALL_PREFIX=${OPENMP_INSTALL} \
     -D LIBOMP_OMPT_SUPPORT=ON \
     ..
 RUN ninja

buildenv/base/Dockerfile

@@ -1,6 +1,6 @@
-FROM ubuntu:20.04
+FROM ubuntu:24.04
 
-ENV UBUNTUVERSION="focal" \
+ENV UBUNTUVERSION="noble" \
     DEBIAN_FRONTEND="noninteractive"
 
 # install base requirements + stuff that makes debugging easier
@@ -10,6 +10,7 @@ RUN true \
         build-essential \
         ca-certificates \
         ccache \
+        cmake \
         gdb \
         git \
         gnupg \
@@ -22,45 +23,21 @@ RUN true \
 # install AutoPas dependencies so we don't rely on bundled versions
         libeigen3-dev \
         libyaml-cpp-dev \
-        # libspdlog-dev \ <- version too old. Needs at least 1.3.1
-        # needed for bundled antlr4 (rule based tuning parser engine)
+        libspdlog-dev \
+# needed for bundled antlr4 (rule based tuning parser engine)
         uuid-dev \
     && rm -rf /var/lib/apt/lists/*
 
-# we might want to fix the certificate stuff
-RUN wget \
-        --no-verbose \
-        -O cmakeInstallScript.sh \
-        https://github.com/Kitware/CMake/releases/download/v3.21.0-rc3/cmake-3.21.0-rc3-linux-x86_64.sh \
-            --no-check-certificate \
-    && bash cmakeInstallScript.sh \
-            --skip-license \
-            --prefix=/usr \
-    && rm cmakeInstallScript.sh
-
-# if we ever need to switch to manual install
-# RUN apt-get -qq install -y cmake \
-    # && wget --no-verbose https://github.com/Kitware/CMake/releases/download/v3.15.0-rc3/cmake-3.15.0-rc3.tar.gz \
-    # && tar -xzf cmake-3.15.0-rc3.tar.gz \
-    # && cd $_ \
-    # && mkdir build \
-    # && cd build \
-    # && cmake .. \
-    # && make -j4 \
-    # && make install
-
-# install spdlog from source bc repo version is too old
-RUN wget --no-verbose -O spdlog.tgz https://github.com/gabime/spdlog/archive/v1.4.2.tar.gz --no-check-certificate \
-    && tar -xzf spdlog.tgz \
-    && rm spdlog.tgz \
-    && cd spdlog-* \
-    && mkdir build \
-    && cd build \
-    && cmake .. \
-        -DCMAKE_BUILD_TYPE=RELEASE \
-        -DSPDLOG_BUILD_EXAMPLE=OFF \
-        -DSPDLOG_BUILD_TESTS=OFF \
-    && make install -j4
+# If we need a newer version of cmake 
+# RUN wget \
+#         --no-verbose \
+#         -O cmakeInstallScript.sh \
+#         https://github.com/Kitware/CMake/releases/download/v3.21.0-rc3/cmake-3.21.0-rc3-linux-x86_64.sh \
+#             --no-check-certificate \
+#     && bash cmakeInstallScript.sh \
+#             --skip-license \
+#             --prefix=/usr \
+#     && rm cmakeInstallScript.sh
 
 COPY bin/entrypoint.sh /usr/local/bin
 RUN ln -s /usr/local/bin/entrypoint.sh / # backwards compat

buildenv/clang/Dockerfile

@@ -1,29 +1,37 @@
 FROM autopas/build-base
 
-ENV CLANGVERSION 13
+ENV CLANGVERSION=16
 
-# add llvm repository
-RUN echo "deb http://apt.llvm.org/${UBUNTUVERSION}/ llvm-toolchain-${UBUNTUVERSION}-${CLANGVERSION} main\n\
-deb-src http://apt.llvm.org/${UBUNTUVERSION}/ llvm-toolchain-${UBUNTUVERSION}-${CLANGVERSION} main\n" >> /etc/apt/sources.list.d/llvm.list
+# Add llvm repository (can be used to get newer clang versions)
+# RUN echo "deb http://apt.llvm.org/${UBUNTUVERSION}/ llvm-toolchain-${UBUNTUVERSION}-${CLANGVERSION} main\n\
+# deb-src http://apt.llvm.org/${UBUNTUVERSION}/ llvm-toolchain-${UBUNTUVERSION}-${CLANGVERSION} main\n" >> /etc/apt/sources.list.d/llvm.list
 
 # add llvm repo key
-RUN wget --no-check-certificate -O - https://apt.llvm.org/llvm-snapshot.gpg.key|apt-key add -
+# RUN wget --no-check-certificate -O - https://apt.llvm.org/llvm-snapshot.gpg.key|apt-key add -
 
 # install stuff
-# openmpi 4.0.3 still has a memory leak, hence install mpich
 RUN true \
     && apt-get -qq update \
     && apt-get -qq install -y --no-install-recommends \
         clang-${CLANGVERSION} \
         lldb-${CLANGVERSION} \
-        libmpich-dev \
+        libclang-rt-${CLANGVERSION}-dev \
         libomp-${CLANGVERSION}-dev \
         clang-format-${CLANGVERSION} \
-        python3-pip \
-        python3-setuptools \
+        cmake-format \
         python3-dev \
     && rm -rf /var/lib/apt/lists/*
-RUN pip3 install --upgrade cmake-format
+
+# openmpi has memory leaks and mpich from apt has bugs
+# install mpich from source
+WORKDIR /tmp
+RUN wget https://www.mpich.org/static/downloads/4.3.2rc2/mpich-4.3.2rc2.tar.gz && \
+    tar -zxvf mpich-4.3.2rc2.tar.gz && \
+    cd mpich-4.3.2rc2 && \
+    ./configure --prefix=/usr --disable-fortran && \
+    make && \
+    make install && \
+    ldconfig
 
 # generate version agnostic links to clang
 RUN ln -s /usr/bin/clang-${CLANGVERSION} /usr/bin/clang

buildenv/gcc/Dockerfile

@@ -1,31 +1,40 @@
 FROM autopas/build-base
 
-ENV GCCVERSION="11"
+ENV GCCVERSION="13"
 
 # install stuff
-# openmpi 4.0.3 still has a memory leak, hence install mpich
-# add ppa for newer gcc, install gcc-11, and set links to make it default
+# install gcc-13, and set links to make it default
 RUN true \
     && apt-get -qq update \
     && apt-get -qq install -y --no-install-recommends \
-        libmpich-dev \
+        autoconf \
+        automake \
+        g++-${GCCVERSION} \
+        libtool \
         software-properties-common \
         python3-dev \
-    && add-apt-repository -y ppa:ubuntu-toolchain-r/test \
-    && apt-get -qq update \
-    && apt-get -qq install -y --no-install-recommends \
-        g++-${GCCVERSION} \
     && rm -rf /var/lib/apt/lists/* \
     && ln -s -f /usr/bin/gcc-${GCCVERSION} /usr/bin/gcc \
     && ln -s -f /usr/bin/g++-${GCCVERSION} /usr/bin/g++
 
-# install lcov and set gcov-11
+# openmpi has memory leaks and mpich from apt has bugs
+# install mpich from source
+WORKDIR /tmp
+RUN wget https://www.mpich.org/static/downloads/4.3.2rc2/mpich-4.3.2rc2.tar.gz && \
+    tar -zxvf mpich-4.3.2rc2.tar.gz && \
+    cd mpich-4.3.2rc2 && \
+    ./configure --prefix=/usr --disable-fortran && \
+    make && \
+    make install && \
+    ldconfig
+
+# install lcov and set gcov-13
 RUN cd \
     && perl -MCPAN -e 'install(Capture::Tiny, DateTime, Date::Parse, Cpanel::JSON::XS)' \
     && git clone https://github.com/linux-test-project/lcov.git \
     && cd lcov \
     && make install \
-    && update-alternatives --install /usr/bin/gcov gcov /usr/bin/gcov-11 60 \
+    && update-alternatives --install /usr/bin/gcov gcov /usr/bin/gcov-13 60 \
     && cd
 
 CMD ["sh", "-c", "cmake -GNinja ../.. && ninja && ninja test"]

buildenv/intel-one-api/Dockerfile

@@ -16,38 +16,9 @@ RUN true \
 # install AutoPas dependencies so we don't rely on bundled versions
         libeigen3-dev \
         libyaml-cpp-dev \
-        # libspdlog-dev \ <- version too old. Needs at least 1.3.1
+        libspdlog-dev \
     && rm -rf /var/lib/apt/lists/*
 
-# we might want to fix the certificate stuff
-RUN wget -O cmakeInstallScript.sh https://github.com/Kitware/CMake/releases/download/v3.14.5/cmake-3.14.5-Linux-x86_64.sh --no-check-certificate \
-    && chmod +x cmakeInstallScript.sh \
-    && ./cmakeInstallScript.sh --skip-license --prefix=/usr/local/ \
-    && rm cmakeInstallScript.sh
-
-# if we ever need to switch to manual install
-# RUN apt-get -qq install -y cmake \
-    # && wget https://github.com/Kitware/CMake/releases/download/v3.15.0-rc3/cmake-3.15.0-rc3.tar.gz \
-    # && tar -xzf cmake-3.15.0-rc3.tar.gz \
-    # && cd $_ \
-    # && mkdir build \
-    # && cd build \
-    # && cmake .. \
-    # && make -j4 \
-    # && make install
-
-# install spdlog from source bc repo version is too old
-RUN wget -O spdlog.tgz https://github.com/gabime/spdlog/archive/v1.4.2.tar.gz --no-check-certificate \
-    && tar -xzf spdlog.tgz \
-    && cd spdlog-* \
-    && mkdir build \
-    && cd build \
-    && cmake .. \
-        -DCMAKE_BUILD_TYPE=RELEASE \
-        -DSPDLOG_BUILD_EXAMPLE=OFF \
-        -DSPDLOG_BUILD_TESTS=OFF \
-    && make install -j4
-
 COPY bin/entrypoint.sh /usr/local/bin
 RUN ln -s /usr/local/bin/entrypoint.sh / # backwards compat
 RUN mkdir -p /ccache_default_dir