leonarski_f
a9d5367013
* Rugnux: Several rotation sweeps of one crystal are merged as one dataset (`rugnux a_master.h5 b_master.h5`), on a common indexing and cell, with a non-isomorphous sweep left out and reported; `--sweeps separate` processes each sweep on its own. Bruker `.sfrm` frames and imgCIF files with a full goniometer axis chain are read. * Rugnux: More robust rotation processing - a retry with a more sensitive spot finder when no lattice is found, a self-consistent detector distance, long axes and doubled cells tested as hypotheses, a `-C` supercell multiple stepped down, and each ice ring merged, down-weighted or rejected on its own. * Rugnux: Serial stills are merged with a partiality-aware error model, reported as `ERROR_MODEL_A/B/C` with no ISa or R_merge/R_meas/R_pim; runs without `-S` have an overall intensity scale about 0.86-0.88 times that of earlier versions, with unchanged statistics. A second crystal form is left out of the merge and reported, the indexing ambiguity is resolved more reliably, and `--model` no longer influences processing. * Rugnux: The reported CC1/2 is the standard unweighted one, which can be lower than before on sweeps with weak frames; ISa comes with a 95% interval (`ISA_LOW`/`ISA_HIGH`). * Rugnux: Model refinement adds anisotropic/TLS, local NCS and twin refinement where R-free supports them; building waters and relabelling ions is now off by default (`--refine-solvent` turns it on). * NXmx: A detector of several modules is written as `module_0` ... `module_N` only, so DIALS reads each module as its own panel. * Other: JPEG previews use a bundled encoder (libjpeg-turbo no longer needed), Rugnux prints how to cite it, and the release archives contain the HTML documentation. Reviewed-on: #92 Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
2.9 KiB
Software requirements
Operating system
Recommended operating system is Red Hat Enterprise Linux (RHEL) / Rocky Linux versions 8 or 9. For these operating systems we provide RPMs with pre-built binaries to simplify deployment. On an experimental basis we also build repositories for Ubuntu 22.04 and 24.04.
Running Jungfraujoch on Red Hat Enterprise Linux 7 is currently not tested and not recommended, but likely possible by providing some packages from external repositories.
Two programs additionally run on Windows 11: the desktop viewer jfjoch_viewer, shipped as a
pre-built installer, and rugnux, the offline analysis CLI, shipped as a .zip. Both
can be built from source with Visual Studio 2026 (MSVC) and CUDA 13.3 — the viewer additionally
needs Qt 6.11; see
jfjoch_viewer ▸ Building from source on Windows.
The Windows artefacts bundle the Qt runtime (viewer only) and, on the CUDA builds, the cuFFT DLL, so
end users need neither Qt nor a CUDA toolkit installed — only an NVIDIA GPU driver for the GPU path.
On Linux the portable archives link CUDA entirely statically and so need nothing but the driver.
rugnux is also built for 64-bit Arm Linux (GH200, DGX Spark). The rest of Jungfraujoch is
Linux-only and x86-64-only. See Release contents for the CPU baseline and
CUDA requirements of each released package.
Software dependencies
Required:
- C++20 compiler and C++20 standard library; recommended GCC 11+ or clang 14+ (Intel OneAPI and AMD AOCC also work)
- CMake version 3.26 or newer + a build tool (GNU make or Ninja)
HDF5, libtiff, zlib and Eigen used to be required system packages; they are now downloaded and built automatically by CMake (see the note below), so none of them needs to be installed. Beyond the optional dependencies listed below, no third-party library has to be provided by the host any more.
Optional:
- CUDA compiler version 12.8 or newer - required for the MX fast feedback indexer and GPU analysis
- FFTW library - for indexing if GPU/CUDA is absent (also auto-downloaded by CMake)
- Node.js - to build the frontend
- Qt version 6 (for jfjoch_viewer)
Many further dependencies (spdlog, Zstandard, HDF5, slsDetectorPackage, libzmq, libtiff,
Ceres, the fast feedback indexer, Catch2, ...) are downloaded automatically
by CMake and statically linked; building therefore requires network access on the first configure.
zlib (as zlib-ng in its zlib-compatible mode) and Eigen are among them: a copy already on the
machine is used instead if the configure is given -DZLIB_ROOT=<prefix> or -DEigen3_DIR=<dir>.
Others are vendored directly in the source tree. The complete list of third-party components, with
copyright holders, licenses and verbatim license texts, is in
Third-party software notices and the licenses/ directory.