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Jungfraujoch/docker/rocky8/Dockerfile
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leonarski_f 451310f43d
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v1.0.0-rc.158 (#68)
This is an UNSTABLE release. It includes many experimental features, as well as many AI generated fixes. We recommend using rc.152 for production use.

* Analysis: The azimuthal-integration solid-angle correction now follows the incidence angle to the detector normal (`cos^3` of that angle) instead of `cos^3(2*theta)`, so it is correct for a tilted detector and matches PyFAI `solidAngleArray` and MAX IV azint (unchanged for an untilted detector). Crystal geometry refinement (`XtalOptimizer`) no longer silently ignores an imported PONI `rot3` (rotation about the beam): it is applied as a fixed rotation in the residual so refinement stays consistent with the rest of the pipeline. Polarization and azimuthal binning already honoured `rot3` through the full PONI rotation.
* jfjoch_viewer: Open datasets on the WSL2/UNC filesystem (paths starting `\\`); write processing outputs next to the input file, with a Browse button and independent `_process.h5` / merged `.mtz`/`.cif` toggles; and show the determined space group in the merge-statistics window.
* rugnux: Accept an absolute `-o` output prefix in offline processing.
* Packaging: The self-contained Linux viewer `.tgz` now bundles cuFFT, so it runs without a system CUDA toolkit (`.deb`/`.rpm` are unchanged, distro-managed).
* Docs: Bring the analysis references up to date with the code. `docs/CPU_DATA_ANALYSIS.md` now reflects the unified profile-fit Bragg integration engine, multi-lattice indexing, azimuthal phi binning, the radial parallax/bandwidth profile with sub-pixel centring, the rot3d capture-fraction handling and the automatic CC1/2 resolution cutoff, and drops the descriptions of features that were never implemented (French-Wilson amplitudes, the still excitation-error partiality model); `docs/RUGNUX.md` documents the new `--resolution-cutoff`/`--resolution-cc-target`/`--resolution-shells`, `--min-captured-fraction`, `--mosaicity`, `--reference-column`, the azimuthal correction toggles and the geometry-override options, and corrects the `-N` default. The outdated in-source design notes (ICE_RING_DETECTION, BRAGG_INTEGRATION_ENGINE, NEXTGEN_INTEGRATOR) are removed.Reviewed-on: #68

Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
2026-07-12 19:42:29 +02:00

147 lines
4.8 KiB
Docker

FROM nvidia/cuda:12.9.1-devel-rockylinux8
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).
# Update base and install common utilities
RUN dnf -y install epel-release && \
dnf -y install --enablerepo=devel \
dnf-plugins-core \
git \
git-lfs \
which \
ca-certificates \
wget \
tar \
xz \
make \
cmake \
nasm \
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 \
libxcb-devel \
xcb-util-*-devel \
xcb-util-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 \
fontconfig-devel \
zlib-static \
java-21-openjdk-headless \
java-21-openjdk-devel \
perl \
perl-IPC-Cmd \
python3 \
python3-pip \
python3-setuptools \
python3-wheel \
twine \
libdrm-devel \
libglvnd-core-devel \
libglvnd-devel \
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}
# 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=${GCC_TOOLSET_ROOT}/usr/bin/g++
ENV PKG_CONFIG_PATH=${OPENSSL_ROOT_DIR}/lib/pkgconfig:${OPENSSL_ROOT_DIR}/lib64/pkgconfig
ARG QT_PREFIX=/opt/qt-${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
# 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
# Set workdir for your project
WORKDIR /workspace
# Default entrypoint prints tool versions and hints.
CMD ["/bin/bash", "-l"]