DIALS core meeting 2023-03-09

Previous Actions

• 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!
  • Looking at this week. Removing seems acceptable and probably the easiest solution
  • ND Action: PR to remove from dials code
• ND Investigate getting psana tests running on the DIALS xfel-regression testing
• Dropping Data Blocks (#504)
  • Action: DGW WIP migrating data to dials-data
  • Still failures in DIALS test data
    • ND: Look at DIALS failures and work out what needs to be migrated

Agenda

CI

• Moved windows CI/regression to CMake on Azure
• Planning to move Mac, but keeping linux on full bootstrap

CBFlib

• HJB Working on 0.9.8 release
• Discussion about making a thread to co-ordinate what it would take to move dials directly back to cbflib
• Shelve awaiting feedback from HJB

Detector dxtbx.plot_detector_models fixes

• https://github.com/cctbx/dxtbx/pull/610
• Richard has fixed many of the issues
• Action: Aaron going to look

Handle Blank IDs

https://github.com/dials/dials/pull/2342

• Discussion over all/any
• Automerging

Issue: Slicing reflection tables drops identifier map

https://github.com/dials/dials/issues/2276

• Would be very useful to fix
• Action: JBE Now aware about, will look at

Moving flex tables from dials to dxtbx

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

• Comments on deprecation instead of direct removal
• Action: Solve deprecation issue and merge conflicts, discuss next time.

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
  • Initial plans for Week of 17th July, unconfirmed

AOB?

NX Writer!

• Aaron been working on: nxmx_writer.py
• Converts from any dxtbx format to NXMX HDF5
• Supports appending
• Does not (yet!) support Scan/Gonio
• Flumpy!
• Code camp for the axis??
• Action: Schedule session to work/finish off

dials.cosym applies an incompatible reindexing operator

https://github.com/dials/dials/issues/2320

• Graeme has asked Richard to have a look

Next meeting

Thursday, March 23rd, 3pm (GMT), 8am (PDT) (Two hours + Coding)