Jungfraujoch/docker/rocky9/Dockerfile

FROM nvidia/cuda:13.3.0-devel-rockylinux9
LABEL authors="leonarski_f"

ARG OPENSSL_VERSION=3.5.4
ARG QT_VERSION=6.9.1
ARG NODE_MAJOR=22
ARG EIGEN_VERSION=3.4.0
# HDF5, libtiff and libjpeg-turbo are built by the jungfraujoch CMake itself (FetchContent /
# ExternalProject). Eigen is an external find_package(Eigen3 3.4) dependency, installed from source
# below (3.4.x is required; Eigen's same-major-version rule rejects 5.x).
ARG DIALS_VERSION=3.27.0
ARG DIALS_TARBALL_URL=https://github.com/dials/dials/releases/download/v3.27.0/dials-v3-27-0-linux-x86_64.tar.xz
ARG DIALS_PREFIX=/opt

# Update base, enable CRB (RHEL/Rocky 9), and install toolchain + Qt deps
RUN dnf -y update && \
    dnf -y install \
      'dnf-command(config-manager)' && \
    dnf config-manager --set-enabled crb && \
    dnf -y install --enablerepo=devel \
      dnf-plugins-core \
      epel-release \
      git \
      which \
      ca-certificates \
      wget \
      tar \
      xz \
      make \
      cmake \
      gcc-toolset-13 \
      gcc-toolset-13-gcc \
      gcc-toolset-13-gcc-c++ \
      gcc-toolset-13-gdb \
      rpm-build \
      rpmdevtools \
      numactl-devel \
      redhat-rpm-config \
      ninja-build \
      python3 \
      python3.12 \
      perl \
      nasm \
      pkgconf-pkg-config \
      libxcb-devel \
      xcb-util-*-devel \
      libxcb-devel \
      libxkbcommon-devel \
      libxkbcommon-x11-devel \
      libX11-devel \
      libXext-devel \
      libXrender-devel \
      libXi-devel \
      libXrandr-devel \
      libXcursor-devel \
      libXfixes-devel \
      libXinerama-devel \
      mesa-libGL-devel \
      mesa-libEGL-devel \
      dbus-devel \
      krb5-devel \
      zlib-devel \
      zlib-static \
      glib2-devel \
      zlib-static \
      fontconfig-devel \
      mesa-dri-drivers \
      libdrm-devel \
      libglvnd-core-devel \
      libglvnd-devel \
      glibc-langpack-en \
      glibc-locale-source \
      freetype-devel && \
    dnf clean all && rm -rf /var/cache/dnf

RUN set -eux; \
    cd /tmp; \
    curl -LO https://www.openssl.org/source/openssl-${OPENSSL_VERSION}.tar.gz; \
    tar -xf openssl-${OPENSSL_VERSION}.tar.gz; \
    cd openssl-${OPENSSL_VERSION}; \
    ./Configure linux-x86_64 no-shared no-module no-tests --prefix=/opt/openssl-${OPENSSL_VERSION} --libdir=lib; \
    make -j"$(nproc)"; \
    make install_sw; \
    cd /; rm -rf /tmp/openssl-${OPENSSL_VERSION} /tmp/openssl-${OPENSSL_VERSION}.tar.gz

# Expose static OpenSSL to CMake/pkg-config
ENV OPENSSL_ROOT_DIR=/opt/openssl-${OPENSSL_VERSION}
ENV PKG_CONFIG_PATH=${OPENSSL_ROOT_DIR}/lib/pkgconfig:${OPENSSL_ROOT_DIR}/lib64/pkgconfig:${PKG_CONFIG_PATH}

# Install a recent Node.js (NodeSource). Change NODE_MAJOR if you want another major version.
RUN curl -fsSL https://rpm.nodesource.com/setup_${NODE_MAJOR}.x | bash - && \
    dnf -y install nodejs && \
    dnf clean all && rm -rf /var/cache/dnf && \
    node --version && npm --version && (corepack enable || true)

# Make GCC/G++ 13 the default for builds
ENV GCC_TOOLSET_ROOT=/opt/rh/gcc-toolset-13/root
ENV PATH=${GCC_TOOLSET_ROOT}/usr/bin:${PATH}
ENV CC=${GCC_TOOLSET_ROOT}/usr/bin/gcc
ENV CXX=${GCC_TOOLSET_ROOT}/usr/bin/g++

# Build and install static Qt 6.9 with Core, Gui, Widgets, Charts, DBus
ARG QT_PREFIX=/opt/qt-${QT_VERSION}-static
RUN set -eux; \
    cd /tmp; \
    curl -LO https://download.qt.io/official_releases/qt/6.9/${QT_VERSION}/single/qt-everywhere-src-${QT_VERSION}.tar.xz; \
    tar -xf qt-everywhere-src-${QT_VERSION}.tar.xz; \
    mkdir -p qt-everywhere-src-${QT_VERSION}/build && cd qt-everywhere-src-${QT_VERSION}/build; \
    cmake -G Ninja \
      -DQT_BUILD_SUBMODULES="qtbase;qtshadertools;qtdeclarative;qtcharts;qt3d" \
      -DBUILD_SHARED_LIBS=OFF \
      -DQT_BUILD_TESTS=OFF \
      -DQT_BUILD_EXAMPLES=OFF \
      -DQT_FEATURE_dbus=ON \
      -DQT_FEATURE_xcb=ON \
      -DQT_FEATURE_xcb_xlib=OFF \
      -DQT_FEATURE_xkbcommon_x11=ON \
      -DQT_FEATURE_opengl=ON \
      -DQT_FEATURE_opengl_desktop=ON \
      -DQT_FEATURE_opengl_dynamic=OFF \
      -DQT_FEATURE_vulkan=OFF \
      -DCMAKE_BUILD_TYPE=Release \
      -DCMAKE_INSTALL_PREFIX=${QT_PREFIX} \
      -DCMAKE_C_COMPILER=${CC} \
      -DCMAKE_CXX_COMPILER=${CXX} \
      -DQT_FEATURE_openssl=ON \
      -DQT_FEATURE_openssl_linked=ON \
      -DOPENSSL_USE_STATIC_LIBS=TRUE \
      ..; \
    cmake --build . -j"$(nproc)"; \
    cmake --install .; \
    cd /; rm -rf /tmp/qt-everywhere-src-${QT_VERSION} /tmp/qt-everywhere-src-${QT_VERSION}.tar.xz

# Install DIALS using the official binary tarball workflow
RUN set -eux; \
    cd /tmp; \
    curl -fL -o dials.tar.xz "${DIALS_TARBALL_URL}"; \
    tar -xJf dials.tar.xz; \
    cd dials-installer; \
    ./install --prefix="${DIALS_PREFIX}"; \
    cd /; \
    rm -rf /tmp/dials.tar.xz /tmp/dials-*-linux-x86_64

RUN set -eux; \
        mkdir -p /opt/xds; \
        cd /tmp; \
        curl -fL -o XDS-gfortran_Linux_x86_64.tar.gz https://xds.mr.mpg.de/XDS-gfortran_Linux_x86_64.tar.gz; \
        tar -xzf XDS-gfortran_Linux_x86_64.tar.gz; \
        cp -a /tmp/XDS-gfortran_Linux_x86_64/. /opt/xds/

RUN set -eux; \
    cd /tmp; \
    curl -fL -o dectris-neggia-1.2.0.el7.tar.gz \
      https://github.com/dectris/neggia/files/6585943/dectris-neggia-1.2.0.el7.tar.gz; \
    tar -xzf dectris-neggia-1.2.0.el7.tar.gz; \
    find . -name 'dectris-neggia*.so' -print; \
    mkdir -p /opt/xds; \
    cp -av "$(find . -name 'dectris-neggia*.so' | head -n 1)" /opt/xds/dectris-neggia.so; \
    chmod 755 /opt/xds/dectris-neggia.so; \
    rm -rf /tmp/dectris-neggia-1.2.0.el7.tar.gz /tmp/*

RUN dnf -y install python3-Cython python3-pip python3-devel && dnf clean all

RUN set -eux; \
     wget --tries=5 --waitretry=5 \
          -O /opt/xds/durin-plugin.so \
          https://gitea.psi.ch/mx/durin/releases/download/1.0.0/libdurin-plugin.so.1.0.0

# Eigen 3.4 (header-only) -- external find_package(Eigen3 3.4) dependency, installed to /opt/eigen-3.4.
RUN set -eux; \
    cd /tmp; \
    git clone --depth 1 --branch ${EIGEN_VERSION} https://gitlab.com/libeigen/eigen.git; \
    cmake -G Ninja -S eigen -B eigen-build -DCMAKE_INSTALL_PREFIX=/opt/eigen-3.4 \
      -DEIGEN_BUILD_BLAS=OFF -DEIGEN_BUILD_LAPACK=OFF -DEIGEN_BUILD_DOC=OFF -DBUILD_TESTING=OFF; \
    cmake --install eigen-build; \
    cd /; rm -rf /tmp/eigen /tmp/eigen-build

# Make Qt and Eigen discoverable by CMake
ENV CMAKE_PREFIX_PATH=/opt/qt-${QT_VERSION}-static:/opt/eigen-3.4

ENV LANG=en_US.UTF-8
ENV LANGUAGE=en_US:en
ENV LC_ALL=en_US.UTF-8

# Set workdir for your project
WORKDIR /workspace

# Default entrypoint: interactive shell
CMD ["/bin/bash", "-l"]