DIALS core meeting 2023-09-07

Previous Actions

• ND: PR to remove std::string support for messagepack from dials code
• ND Investigate getting psana tests running on the DIALS xfel-regression testing
• Dropping Data Blocks (#504 #570)
  • ND: Look at DIALS failures and work out what needs to be migrated
  • Has been movement as DGW started investigating: https://github.com/dials/dials/pull/2465
  • There were some Datablock tests marked XFAIL - migrated these and a few other places and this is merged!
• DP: Add msgpack “hot” path to include environment in cctbx (prev)
  • Work in https://github.com/cctbx/cctbx_project/commit/03a9a6797044126984a69ff30d00be6df408e43a, pending approval/merge
  • Drop, fixed in other ways
• JBE: Solve “multiplex: Duplicate Batch offsets detected” xia2#430 (prev) (not urgent)
• ND or DW: Cannot view reciprocal lattice using dials.reciprocal_lattice_viewer #2443
  • Probably needs someone to dig into windows gltbx behaviour, or at least work out where issue lies
  • Reports from CCP4 workshop that people are having issue on latest ubuntu

Agenda

dials.stills_process refactor

• Made much more efficient when having mixed image sizes so that each rank doesn’t need to do all the import itself
• still WIP

SerialTBX status update (prev).

• AB: Moving forward serialtbx changes
• cctbx#872 now marked ready for review
  • Awaiting NKS approval
  • dxtbx will break
    • We can use cctbx nightly for dxtbx/dials tests
    • should we do this longer-term?
      • ND: Investigate making this stable (e.g. cctbx tests) longer term

DIALS-support “Error importing .cbf files using DIALS”

• dials#2488
• Pilatus3 1M at BL02B1, SPRING-8 appears to be transposed!!??!?
• Graeme got some info from Kunio, Takanori seems to be looking at
• Seems to be no explanation for the very odd inverted-detector behaviour
  • Done for Crysalis convention
  • Takanori appears to have Format class in hand
  • Okay to ignore the exceptionally different files as no timestamp and no longer generated

dials.cosym finds the right operator but puts it wrongly

• dials#2486
• DP will try to have a look on Monday
• Draft PR at https://github.com/dials/dials/pull/2497
• Pulls in other problems that need to be worked through

AOB?

https://github.com/cctbx/dxtbx/pull/660

• No objections

Next meeting

Thursday, September 21st, 4pm (BST), 8am (PDT)