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 Module READMEs: purge outdated recipes repo-wide — Pmodules/1.1.20 and 2.0.0 plus ./build replaced by modbuild/2.1.3 invocations; the cctbx unbound-variable fix moved from the main README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>
1.2 KiB
xdsgui
Graphical user interface for XDS data processing: visualizes control images and statistics, helps with writing XDS.INP.
- Upstream: https://wiki.uni-konstanz.de/xds/index.php/XDSGUI
- License: free of charge (see upstream)
How it is built
Upstream ships a prebuilt, unversioned Linux binary at a fixed URL, so
the module version is the download date. pbuild::install wgets
xdsgui and the generate_XDS.INP helper script from
https://wiki.uni-konstanz.de/pub/linux_bin/ into $PREFIX/bin and
marks them executable.
Loading the module puts $PREFIX/bin on PATH and auto-loads the
runtime dependencies H5ToXds/1.1.0, xds/20260616,
autoPROC/20240710, shelx/2019.1, ccp4/8.0 and xds_viewer/0.7
(xdsgui calls xds and these helper tools from its GUI tabs).
Verifying the install
module use MX unstable && module load xdsgui/<version>
which xdsgui generate_XDS.INP # both under .../xdsgui/<version>/bin
module list # H5ToXds, xds, autoPROC, shelx, ccp4, xds_viewer pulled in
xdsgui # on a node with X forwarding; GUI opens
Adding a new version
Add the new download date under versions: in files/config.yaml,
then on a Ra login node: modbuild build <version> (modbuild/2.1.3).