DIALS core meeting 2022-01-20

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Previous Actions

  • dxtbx src/ layout [prev]
    • Nick: Outstanding issues with dispatcher re-export on windows
    • This is a higher priority now - David feeling pain of missing
    • Also, seeing related errors "in the wild
    • Nick: Action before 3.9
  • Removal of DataBlock [prev, prev]
    • Nick: More visible deprecationwarning (cctbx/dxtbx#448)
    • Merged 23rd November. Do we want to set any plans for further?
    • Action: GW Make a PR/branch to remove this so that we can run things against it
  • DXTBX/pycbf [prev]
    • ~dxtbx#368 for optional cbflib/_adaptbx .~~ Merged.
    • ND: conda-forge pycbf: Make new release to use dials-data directly for tests
    • Nick: Add lots more attribution
    • dxtbx: Now 3.8.0 our can move forwards conda-forge/staged-recipes#16846
  • Deterministic Experiment Identifiers [prev]
    • Aaron: Change dials.stills_process to default to composite mode and not write experiment files
    • GW/Aaron: Organise another meeting to go over "load before heat death" PR and reasons why, solutions etc
    • Not going to treat now, will go back to in new year and re-evaluate if required
      • Sounds plausibly possible to fix without this PR
      • Nick: Close for now, alternative approach will be tried, if that doesn't work we will reopen
  • Nick: Make sure that HKLviewer (prev) works at Diamond on module load
  • ImageSet/ImageSetData memory usage - cctbx/dxtbx#438 merged

Agenda

Add option for dxtbx's libtbx_refresh to not modify conda_base

  • cctbx/dxtbx#444
  • ND: Add environment variable to do this
  • Add this as default in the CCTBX
  • do for DIALS, iota, dxtbx, xia2
  • Top Priority

Contiguous Nexus

  • "Contiguous Nexus" cctbx/dxtbx#356
    • Non-draft state is pending checks against issues @dwpaley raised, and checking for non-contiguous cases [prev]
  • AB wants this to be applied against new nexus writing
  • RG: Probably useful to mock up an example in the nxmxtests
  • Action: Aaron Reduce down zenodo dataset used in the issue (cctbx/dxtbx#93) so that we can include it in dials-data.
  • Afterward: Coordinate with RG to make sure the ideas in this are integrated into new nexus reading

Typing

PRs to remove std::string from messagepack

  • dials/dials#1982 DO NOT MERGE
  • Discussion about how this is used in XFEL module
  • Action: Actually try to fix this (https://github.com/dials/dials/issues/1858)
  • Make merging of tables and resolution of experiment identifiers easier Action: JBE - work out what we need to handle and how to do this
    • Aaron: Write issue describing usage
  • Remove existing usage of std::string in XFEL modules

Next meeting

Thursday, February 3rd, 4pm UK (GMT), 8am PT.

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