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jngradjngrad
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Upgrade all images (#215)
Description of changes: * migrate to Ubuntu 24.04, Debian 12 and Fedora 40 * install Kokkos libraries
2 parents 3399039 + 2fc0dee commit 7843821

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-98
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‎.github/workflows/build.yml

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runs-on: ubuntu-latest
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strategy:
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matrix:
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image: ['debian', 'fedora', 'ubuntu-22.04', 'ubuntu-wo-dependencies']
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image:
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- debian
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- fedora
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- ubuntu
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- ubuntu-wo-dependencies
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steps:
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- uses: actions/checkout@main
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- name: Build and deploy

‎docker/Dockerfile-debian

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FROM debian:bullseye AS image_base
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RUN echo "deb http://deb.debian.org/debian bullseye-backports main" >> /etc/apt/sources.list && \
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apt-get update && \
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FROM debian:bookworm AS image_base
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RUN apt-get update && \
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DEBIAN_FRONTEND=noninteractive apt-get install -y --no-install-recommends \
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apt-utils \
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build-essential \
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curl \
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cmake \
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ccache \
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curl \
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cython3 \
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gdb \
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git \
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libboost-dev libboost-serialization-dev libboost-mpi-dev libboost-filesystem-dev libboost-test-dev \
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libboost-dev \
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libboost-filesystem-dev \
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libboost-mpi-dev \
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libboost-serialization-dev \
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libboost-test-dev \
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libfftw3-dev \
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libhdf5-openmpi-dev \
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libpython3-dev \
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openmpi-bin \
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python3 \
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python3-h5py \
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python3-numpy \
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python3-packaging \
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python3-pip \
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python3-scipy \
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python3-setuptools \
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python3-vtk9 \
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vim && \
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DEBIAN_FRONTEND=noninteractive apt-get install -y --no-install-recommends --target-release bullseye-backports \
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cmake && \
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apt-get clean && \
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rm -rf /var/lib/apt/lists/*
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‎docker/Dockerfile-fedora

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FROM fedora:36
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FROM fedora:40
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RUN dnf -y install \
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blas-devel \
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boost-devel \
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cmake \
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environment-modules \
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fftw-devel \
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fftw-mpich-devel \
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gcc \
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gcc-c++ \
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gdb \
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python3 \
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python3-devel \
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python3-Cython \
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python3-lxml \
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python3-numpy \
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python3-scipy \
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python3-packaging \
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python3-pip \
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python3-setuptools \
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python3-h5py \

‎docker/Dockerfile-ubuntu

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FROM ubuntu:noble
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RUN apt-get update && \
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DEBIAN_FRONTEND=noninteractive apt-get install --no-install-recommends -y \
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apt-utils \
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autoconf \
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automake \
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build-essential \
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ccache \
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clang-18 clang-tidy-18 clang-format-18 llvm-18 libclang-rt-18-dev \
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cmake \
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cmake-format \
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curl \
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cython3 \
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doxygen \
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ffmpeg \
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gcc-12 g++-12 \
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gcc-13 g++-13 \
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gdb \
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gfortran \
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git \
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gnupg \
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graphviz \
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ipython3 \
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jq \
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jupyter-client \
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jupyter-core \
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jupyter-nbconvert \
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lcov \
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libblas-dev \
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libboost-dev \
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libboost-filesystem-dev \
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libboost-mpi-dev \
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libboost-serialization-dev \
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libboost-test-dev \
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libdigest-sha-perl \
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libfftw3-dev \
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libfftw3-mpi-dev \
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libgsl-dev \
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libhdf5-openmpi-dev \
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liblapack-dev \
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libopenmpi-dev \
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libthrust-dev \
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libtool \
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nvidia-cuda-toolkit \
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openmpi-bin \
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openssh-client \
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perl \
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pkg-config \
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pre-commit \
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python3 \
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python3-dev \
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pylint \
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python3-coverage \
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python3-dev \
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python3-h5py \
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python3-ipykernel \
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python3-jinja2 \
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python3-lxml \
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python3-matplotlib \
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python3-nbconvert \
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python3-numpy \
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python3-numpydoc \
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python3-pint \
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python3-pip \
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python3-packaging \
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python3-requests \
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python3-scipy \
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python3-setuptools \
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python3-sympy \
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python3-sphinx \
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python3-sphinxcontrib.bibtex \
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python3-tqdm \
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python3-venv \
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python3-vtk9 \
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rsync \
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texlive-base \
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vim && \
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apt-get clean && \
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rm -rf /var/lib/apt/lists/*
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COPY install-pfft.sh /tmp
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COPY install-scafacos.sh /tmp
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COPY install-kokkos.sh /tmp
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RUN sh /tmp/install-pfft.sh && rm /tmp/install-pfft.sh && \
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sh /tmp/install-scafacos.sh && rm /tmp/install-scafacos.sh && \
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sh /tmp/install-kokkos.sh && rm /tmp/install-kokkos.sh && \
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ldconfig
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ENV NVIDIA_VISIBLE_DEVICES all
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ENV NVIDIA_DRIVER_CAPABILITIES compute,utility
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ENV JUPYTER_PLATFORM_DIRS 1
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COPY --chown=1000:1000 jupyter_nbconvert_config.json /tmp
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RUN userdel ubuntu && rm -rf /home/ubuntu && useradd -u 1000 -m espresso
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ENV HOME="/home/espresso"
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RUN echo | cpan && \
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echo | cpan JSON::XS && \
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chown -R espresso:espresso /home/espresso/.cpan/
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USER espresso
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ENV VIRTUAL_ENV "$HOME/venv"
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ENV PATH "$HOME/.local/bin:$VIRTUAL_ENV/bin:$PATH"
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RUN cd "${HOME}" && \
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python3 -m venv --system-site-packages venv && \
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. venv/bin/activate && \
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python3 -m pip install --no-cache \
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jupyterlab==4.0.13 \
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pep8==1.7.1 \
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autopep8==2.1.0 \
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pycodestyle==2.11.1 \
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sphinx-toggleprompt==0.5.2 && \
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jupyter_config_root=$(jupyter --paths --json | jq ".config[0]") && \
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jupyter_config_root=${jupyter_config_root#\"} && \
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jupyter_config_root=${jupyter_config_root%\"} && \
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jupyter_kernels_root=$(jupyter --paths --json | jq ".data[0]")/kernels && \
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jupyter_kernels_root=${jupyter_kernels_root#\"} && \
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jupyter_kernels_root=${jupyter_kernels_root%\"} && \
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mkdir -p "${jupyter_config_root}" "${jupyter_kernels_root}" && \
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mv "/tmp/jupyter_nbconvert_config.json" "${jupyter_config_root}/" && \
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ln -s "${VIRTUAL_ENV}/share/jupyter/kernels/python3" "${jupyter_kernels_root}/python3" && \
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deactivate && \
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mkdir -p "${HOME}/.local/bin" && \
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mkdir -p "${HOME}/.local/etc/alternatives" && \
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mkdir -p "${HOME}/.local/var/lib/alternatives"
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WORKDIR /home/espresso

‎docker/Dockerfile-ubuntu-22.04

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This file was deleted.

‎docker/Dockerfile-ubuntu-wo-dependencies

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FROM ubuntu:jammy AS image_base
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FROM ubuntu:noble AS image_base
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RUN apt-get update && \
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DEBIAN_FRONTEND=noninteractive apt-get install --no-install-recommends -y \
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apt-utils \
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ccache \
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cmake \
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cython3 \
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gcc-11 g++-11 \
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gcc-13 g++-13 \
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gdb \
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git \
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libboost-dev libboost-serialization-dev libboost-mpi-dev libboost-filesystem-dev libboost-test-dev \
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libboost-dev \
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libboost-filesystem-dev \
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libboost-mpi-dev \
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libboost-serialization-dev \
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libboost-test-dev \
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libopenmpi-dev \
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openssh-client \
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openmpi-bin \
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python3-h5py \
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python3-lxml \
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python3-numpy \
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python3-packaging \
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python3-pip \
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python3-scipy \
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python3-setuptools \

‎docker/install-kokkos.sh

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#!/bin/sh
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set -e
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cd /tmp
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git clone -b 4.3.00 https://github.com/kokkos/kokkos
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cd kokkos/
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mkdir build
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cd build/
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cmake .. -D Kokkos_ENABLE_CUDA=OFF -DKokkos_ENABLE_OPENMP=ON
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make -j $(nproc) install
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cd
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rm -r /tmp/kokkos
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ldconfig

‎docker/install-pfft.sh

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#!/bin/bash
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#!/bin/sh
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set -e
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‎docker/install-scafacos.sh

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#!/bin/bash
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#!/bin/sh
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set -e
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‎docker/jupyter_nbconvert_config.json

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{
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"version": 1,
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"Exporter": {
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"require_js_url": "https://cdnjs.cloudflare.com/ajax/libs/require.js/2.1.10/require.min.js",
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"mathjax_url": "https://cdnjs.cloudflare.com/ajax/libs/mathjax/2.7.7/latest.js?config=TeX-AMS_CHTML-full,Safe"
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}
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}

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