DIALS core meeting 2023-05-04

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)
  • ND: Look at DIALS failures and work out what needs to be migrated
• RG: Investigate dials.cosym applies an incompatible reindexing operator (dials/2320) (prev)
• DM: Moving flex tables; Solve dials#2113 deprecation issue and merge conflicts

Agenda

Moving flex tables from dials to dxtbx

https://github.com/dials/dials/pull/2113

• Previously
• Merge conflicts appear to have been resolved?
• ND planned to merge next week after the DIALS release
• couple of test failures regarding slicing
• Merge when fixed!

---

• Couple of outstanding issues still, possibly CMake related -> ND have a look

NX Writer! (prev)

• Did some scan-related work last time
• What is state?
• Few test failures relating to dependencies on dials, xfel
• These will be worked on!
• ND to merge https://github.com/cctbx/dxtbx/pull/612
  • Missed merge window, any outstanding issues?
  • Aaron to make basic test case

---

• Richard has added what looks like a test case, Aaron to look at and confirm if that is what is needed

Removing cctbx.xfel dependencies from dials.index

• Discovered when running conda-forge testing
• https://github.com/dials/dials/pull/2390
• https://github.com/cctbx/cctbx_project/compare/serial_tbx !

---

• Set of PRs to implement
  • CCTBX: https://github.com/cctbx/cctbx_project/pull/872 - contains descriptions of all changes made
  • dxtbx: https://github.com/cctbx/dxtbx/pull/627
  • dials: https://github.com/dials/dials/pull/2404
  • iota: https://github.com/ssrl-px/iota/pull/5
  • xfel_regression https://gitlab.com/cctbx/xfel_regression/-/merge_requests/10
• We all need to look at things
  • Schedule some time next week at DLS to look over these PRs

Code camp idea?

• Aaron suggests - a few days, couple of hours a day, work on outstanding smaller issues?
• Virtual DIALS code-camp
• Split into sessions:
  • Planning
  • Coding
  • Closeout
• Graeme suggests linking to potential serial workshop being talked about at Cornell/CHESS for ~end of July
  • Week of 17th July, confirmed
• \o/

---

• Drop from agenda, invites etc are going to go out separately

AOB?

msgpack https://github.com/dials/dials/pull/2409

• Nick would prefer to be handled at the build system level
• Dan to:
  • Add to cctbx bootstrap: if not using conda, then add msgpack to includes
  • Revert the corresponding change in the dials SConscript
• Aaron wants to CI test the virtual environment setup
  • Making this easier to create is on the explicit list of things to do

DIALS Survey

• Results
• Discussion of what the results say
• Made a list of every facility with MX beamlines
  • Got contact information from public internet
  • Sent list of questions to beamlines
  • 36 responses

Polychromatic Beam

• https://github.com/cctbx/dxtbx/pull/621
• Discuss in DLS meeting to look over circular dependencies
• Merge next meeting if not looked over
• DGW to look at next week

Scans

• https://github.com/cctbx/dxtbx/pull/620
• Same as above. ND: Get people to look at it

Imageset slicing broken

• https://github.com/cctbx/dxtbx/issues/633
  • DGW to have a look at what putting it back to a sane slicing behaviour causes to break, we can look at those and see if the behaviour is sensible.

NXMX

• Discussion about dynamic masking in NXmx. RG to have look at.

Next meeting

Thursday, May 18th, 4pm (BST), 8am (PDT)