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 Module READMEs: purge outdated recipes repo-wide — Pmodules/1.1.20 and 2.0.0 plus ./build replaced by modbuild/2.1.3 invocations; the cctbx unbound-variable fix moved from the main README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>
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DIALS
Step 1: make sure you are in the unx-mx_adm group -- no -adm account needed, members can update the modules in /opt/psi/MX directly (if you have problems, please let the admins know)
Step 2: load the build tool (modbuild)
module use unstable
module load modbuild/2.1.3
Step 3: go into DIALS directory, update config.yaml to add newest release version and build module with that release name
cd DIALS
vi files/config.yaml
modbuild build 3.25.0
Step 4: confirm that the module loads as expected
PS: Unsupported dtype issue is resolved by changing modules/dxtbx/src/dxtbx/format/FormatNXmx.py allowing the return of also /entry/data/data to the handle: https://github.com/dials/dials/issues/3033
If loading the module fails with an unbound variable from the sourced
dials_env.sh (cctbx-style env script), add puts stdout "set +x nounset"
before the source line in the modulefile — same fix as phenix.