DIALS core meeting 2022-10-13

Previous Actions

• ND to review: TOFBeam - A time-of-flight beam in dxtbx cctbx/dxtbx#492 (prev)
  • David McD going to revisit this and push for PR merges in context, ignore for now but will be coming up very soon - there are people with a great need for this!
• std::string support for messagepack. This is used in XFEL module, should try to fix. dials/dials#1858.
  • Is using pickle until this is fixed, so probably good to do
  • AB Added to codecamp list. Might get to this!
• AB: Complete coordinate updates (Fix beam center and intensity readout of pixel coordinates)
• JBE: Run tests on https://github.com/dials/dials/pull/2128
• GW: Checks to see what https://github.com/cctbx/dxtbx/issues/559 affects.
  • AB: Make PR for above
• Nick Investigate getting psana tests running on the DIALS xfel-regression testing
• AB: Create a PR for “Equipment components”
  • RG: Review this

Agenda

Dropping Data Blocks

https://github.com/cctbx/dxtbx/pull/504

• GW PR
• After PR/PRs, ASB to contact e.g. Mike Wall about this, too.
• GW thinks reasonable to merge when these concerns addressed
• Waiting on AB now, will get sorted as soon as can
• Progress!
  • DataBlock in Lunus is one of the outstanding issues
    • AB Identified scripts, Mike Wall agreed that they should be deprecated
    • This is Done! Was entirely in deprecated scripts that weren’t being used any more
  • XFEL repos are still WIP
    • ls49
    • cxid9114 (this should be fixed)
• Planned time to work on this stuff in October

AOB?

DXTBX Demonstration

• From image viewer workshop
• https://gist.github.com/phyy-nx/6a04745e960f183fa4ff52ab99c2efa3
• Write a one page summary on projecting resolution rings onto a matplotlib image
• GW to create an issue tracking this -> https://github.com/cctbx/dxtbx/issues/562

Low memory/Sparse memory refinement

• Came up in conversation
• Various obstables

Setuptools

• Several breaking changes in recent versions
• Setuptools/editable installs changes recently, fixing in PR https://github.com/cctbx/cctbx_project/pull/802
• No direct effect on dials because we pin setuptools
• ND: Unpin setuptools at some point

Next meeting

Thursday, October 27th, 4pm (BST), 8am (PDT)