duan_jandClaude Fable 5
c3c38856b3
Main README: clone/SSH/branching quickstart with full /das paths, --tmpdir/--distdir as part of the standard build command (do not fill /var/tmp or $HOME) with cleanup for defaults, tips deduplicated against module READMEs, old-system references removed, resource links and tutorial acknowledgements added. Module READMEs: purge outdated recipes repo-wide — Pmodules/1.1.20 and 2.0.0 plus ./build replaced by modbuild/2.1.3 invocations; the cctbx unbound-variable fix moved from the main README into phenix and DIALS READMEs where it belongs. Co-Authored-By: Claude Fable 5 <noreply@anthropic.com>
crystfel
Data processing for serial (femtosecond) crystallography at FELs and synchrotrons: indexamajig, partialator, process_hkl, cell_explorer, the CrystFEL GUI and friends.
- Upstream: https://www.desy.de/~twhite/crystfel/
- License: GPLv3
How it is built
Source tarball from https://desy.de/~twhite/crystfel/ (sha256-verified),
built with meson per upstream INSTALL.md:
meson setup build --prefix=$PREFIX && meson compile -C build && meson install -C build.
Upstream warns: do NOT have any conda environment active while building.
Build-host prerequisites (meson, ninja, gcc, and the C libraries: hdf5,
gsl, and optionally cairo/gdk-pixbuf/gtk for the GUI, fftw, zmq) must be
available on the Ra build node -- add build_requires: entries in
files/config.yaml if matching Ra modules are needed.
Loading the module puts $PREFIX/bin on PATH.
Building on Ra
module use unstable && module load modbuild/2.1.3
cd crystfel
modbuild build 0.13.0
module use MX unstable && module load crystfel/0.13.0 && indexamajig --version
Verifying the install
module use MX unstable && module load crystfel/0.13.0
which indexamajig
indexamajig --version
cell_explorer # GUI check, needs X
Adding a new version
Add the version under versions: and its tarball sha256 under shasums:
in files/config.yaml, then on a Ra login node:
modbuild build <version> (modbuild/2.1.3).