Update compiler and library dependencies

Author: jngrad

docker/Dockerfile-debian

@@ -7,13 +7,15 @@ RUN apt-get update && \
         ccache \
         curl \
         cython3 \
+        gcc-12 g++-12 \
         gdb \
         git \
         libboost-dev \
         libboost-filesystem-dev \
         libboost-mpi-dev \
         libboost-serialization-dev \
         libboost-test-dev \
+        libcereal-dev \
         libfftw3-dev \
         libhdf5-openmpi-dev \
         libpython3-dev \

docker/Dockerfile-fedora

@@ -1,10 +1,11 @@
-FROM fedora:40
+FROM fedora:41
 RUN dnf -y install \
   blas-devel \
   boost-devel \
   boost-mpich-devel \
   ccache \
   cmake \
+  cereal-devel \
   environment-modules \
   fftw-devel \
   fftw-mpich-devel \

docker/Dockerfile-ubuntu

@@ -6,15 +6,15 @@ RUN apt-get update && \
         automake \
         build-essential \
         ccache \
-        clang-18 clang-tidy-18 clang-format-18 llvm-18 libclang-rt-18-dev \
+        clang-18 clang-tidy-18 clang-format-18 llvm-18 libclang-rt-18-dev libomp-18-dev \
         cmake \
         cmake-format \
         curl \
         cython3 \
         doxygen \
         ffmpeg \
         gcc-12 g++-12 \
-        gcc-13 g++-13 \
+        gcc-14 g++-14 \
         gdb \
         gfortran \
         git \
@@ -32,6 +32,7 @@ RUN apt-get update && \
         libboost-mpi-dev \
         libboost-serialization-dev \
         libboost-test-dev \
+        libcereal-dev \
         libdigest-sha-perl \
         libfftw3-dev \
         libfftw3-mpi-dev \
@@ -76,6 +77,7 @@ RUN apt-get update && \
         python3-vtk9 \
         rsync \
         texlive-base \
+        unzip \
         vim && \
     apt-get clean && \
     rm -rf /var/lib/apt/lists/*
@@ -89,9 +91,9 @@ RUN sh /tmp/install-pfft.sh     && rm /tmp/install-pfft.sh && \
     sh /tmp/install-kokkos.sh   && rm /tmp/install-kokkos.sh && \
     ldconfig
 
-ENV NVIDIA_VISIBLE_DEVICES all
-ENV NVIDIA_DRIVER_CAPABILITIES compute,utility
-ENV JUPYTER_PLATFORM_DIRS 1
+ENV NVIDIA_VISIBLE_DEVICES=all
+ENV NVIDIA_DRIVER_CAPABILITIES="compute,utility"
+ENV JUPYTER_PLATFORM_DIRS=1
 
 COPY --chown=1000:1000 jupyter_nbconvert_config.json /tmp
 
@@ -101,8 +103,8 @@ RUN echo | cpan && \
     echo | cpan JSON::XS && \
     chown -R espresso:espresso /home/espresso/.cpan/
 USER espresso
-ENV VIRTUAL_ENV "$HOME/venv"
-ENV PATH "$HOME/.local/bin:$VIRTUAL_ENV/bin:$PATH"
+ENV VIRTUAL_ENV="$HOME/venv"
+ENV PATH="$HOME/.local/bin:$VIRTUAL_ENV/bin:$PATH"
 RUN cd "${HOME}" && \
   python3 -m venv --system-site-packages venv && \
   . venv/bin/activate && \

docker/Dockerfile-ubuntu-wo-dependencies

@@ -15,6 +15,7 @@ RUN apt-get update && \
         libboost-mpi-dev \
         libboost-serialization-dev \
         libboost-test-dev \
+        libcereal-dev \
         libopenmpi-dev \
         openssh-client \
         openmpi-bin \

docker/install-kokkos.sh

@@ -4,12 +4,15 @@ set -e
 
 cd /tmp
 
-git clone -b 4.3.00 https://github.com/kokkos/kokkos
-cd kokkos/
+kokkos_version="4.3.00"
+curl -Lo ./kokkos-${kokkos_version}.tar.gz https://github.com/kokkos/kokkos/archive/refs/tags/${kokkos_version}.tar.gz
+tar xfz ./kokkos-${kokkos_version}.tar.gz
+rm ./kokkos-${kokkos_version}.tar.gz
+cd kokkos-${kokkos_version}/
 mkdir build
 cd build/
 cmake ..  -D Kokkos_ENABLE_CUDA=OFF -DKokkos_ENABLE_OPENMP=ON -D CMAKE_POSITION_INDEPENDENT_CODE=ON
 make -j $(nproc) install
 cd
-rm -r /tmp/kokkos
+rm -r /tmp/kokkos-${kokkos_version}
 ldconfig