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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 The outdated in-source design notes (ICE_RING_DETECTION, BRAGG_INTEGRATION_ENGINE, NEXTGEN_INTEGRATOR) are removed.Reviewed-on: #68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

175 lines
5.7 KiB
Docker

# Ubuntu 22.04 (Jammy) base with CUDA 13 devel toolchain
FROM nvidia/cuda:13.0.1-devel-ubuntu22.04
LABEL authors="leonarski_f"
ENV DEBIAN_FRONTEND=noninteractive
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 toolchain + Qt dependencies
# Notes:
# - GCC/G++ 13 are installed from jammy-backports
# - XCB/X11/OpenGL/EGL/DBus/fontconfig/freetype/zlib headers installed for building static Qt
RUN set -eux; \
apt-get update; \
apt-get install -y --no-install-recommends \
ca-certificates \
curl \
wget \
gpg \
git \
tar \
xz-utils \
build-essential \
ninja-build \
python3 \
python3-venv \
python3-requests \
perl \
pkg-config \
gdb \
file \
nasm \
python3.11 \
python3.11-venv \
dpkg-dev \
fakeroot \
libnuma-dev \
libkrb5-dev \
libxcb1-dev \
libx11-dev \
libxext-dev \
libxrender-dev \
libxi-dev \
libxrandr-dev \
libxcursor-dev \
libxfixes-dev \
libxinerama-dev \
libxkbcommon-dev \
libxkbcommon-x11-dev \
libx11-xcb-dev \
libxcb-image0-dev \
libxcb-icccm4-dev \
libxcb-keysyms1-dev \
libxcb-render-util0-dev \
libxcb-util-dev \
libxcb-randr0-dev \
libxcb-xkb-dev \
libxcb-shm0-dev \
libxcb-cursor0 \
libxcb-cursor-dev \
libxcb-shape0-dev \
libxcb-sync-dev \
libxcb-xfixes0-dev \
libxcb-glx0-dev \
libgl1-mesa-dev \
libglx-dev \
libegl1-mesa-dev \
libdbus-1-dev \
zlib1g-dev \
libglib2.0-dev \
libfontconfig1-dev \
libdrm-dev \
mesa-utils \
libassimp-dev \
libglvnd-dev \
libfreetype6-dev; \
wget -qO- https://apt.kitware.com/keys/kitware-archive-latest.asc \
| gpg --dearmor \
| tee /usr/share/keyrings/kitware-archive-keyring.gpg > /dev/null; \
echo "deb [signed-by=/usr/share/keyrings/kitware-archive-keyring.gpg] https://apt.kitware.com/ubuntu/ jammy main" \
| tee /etc/apt/sources.list.d/kitware.list > /dev/null; \
apt-get update; \
apt-get install -y --no-install-recommends \
cmake=3.26.* \
cmake-data=3.26.* \
kitware-archive-keyring; \
apt-get -y install gcc-12 g++-12; \
apt-get clean; \
rm -rf /var/lib/apt/lists/*
# Use GCC/G++ 12 for builds
ENV CC=/usr/bin/gcc-12
ENV CXX=/usr/bin/g++-12
ENV PATH=/usr/bin:${PATH}
# Build a static OpenSSL
RUN set -eux; \
cd /tmp; \
curl -LO https://www.openssl.org/source/openssl-${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)
RUN set -eux; \
curl -fsSL https://deb.nodesource.com/setup_${NODE_MAJOR}.x | bash -; \
apt-get update; \
apt-get install -y --no-install-recommends nodejs; \
apt-get clean; \
rm -rf /var/lib/apt/lists/*; \
node --version; npm --version; (corepack enable || true)
# Build and install static Qt with Core, Gui, Widgets, Charts, DBus
ARG QT_PREFIX=/opt/qt-${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
# 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: interactive shell
CMD ["/bin/bash", "-l"]