DIALS core meeting 2024-11-14

Previous Actions

  • ND Investigate getting psana tests running on the DIALS xfel-regression testing
  • ND: Sync new releases with current state of dials/cbflib and main branch. Keep synced. Let's ignore and readdress in the context of new CBFlib maintenance
  • ND: Please add Central US time to meeting time on agenda.

Agenda

Aaron dials web-page PRs

CBFlib

  • Aaron wants to switch forks for cbflib to make dials fork the main cbflib. Has been discussed with Herbert.
  • Questions around cmake build - Johan working on this? Graeme thinks already been done before?
  • Aaron to set up call for subgroup of interested people on cbflib switch and build (principally including Nick and Herbert).
    • Yes, defer further discussion until CBFlib meeting.

PS2 processing discussion

Previous:

  • Users had issues processing PS2 data taken at Diamond. Graeme suggested setting up dedicated zoom chat.

Status:

  • Still outstanding - Graeme spoke to user in-person at APS.
  • Graeme says we should set up a dedicated zoom chat
  • Drop this from agenda for now

Github Actions

MCD Outlier Rejection

Previous:

Status: Still outstanding

Fast-feedback indexer

Previous:

Status: HC does not have time to pursue, do we want Nick to still look at this?

Status of James' HDF5 work

  • Prev
  • https://github.com/dials/dials/pull/2677
  • Merged in! Not the default.
  • Aside, Aaron notes that we are very close to a relational DB model. Should discuss further in future, point raised often by Herbert? Is it actually useful for us? Main issue of primary key.

PyCBF on PPC

Previous:

  • Derek Mendez queried about getting DIALS build for PPC platform. PyCBF seemed to have issues.
  • Autobuild is broken, in process of moving to plain setuptools
  • ND: Not had time to continue working on this
  • Graeme now messaging Derek on slack about this. Aaron says we should support if Derek needs this to run on supercomputers at facility/institute.
  • Should support, move to CBFlib discussion

"Add the ellipsoid profile model as an option in dials.stills_process"

Workshops

  • Yearly workshop at 6 light sources in US - Aaron wants to teach at two a year. Funds available from R24 for others to teach, including from DIALS UK.
    • AB to do a survey of when user meetings are

Collaboration Meeting?!

  • Graeme requested to add
  • AB: Dials workshop in association with a user meeting? Two days workshop two days DIALS perhaps? Discuss!

Other PRs

Graeme workshop bug hunt

  • Tqdm chart on import; https://github.com/cctbx/dxtbx/pull/768
    Small change, no new depencies, Graeme asks for Nick's review.
  • dials image viewer problems observed at workshop. Needs making better for multi-crystal (e.g. dropdown to select sweep). DGW seeing issues with slider on linux, not seen by others yet. Need to decide on long term future of image viewer. DGW has investigated viewers; says bottleneck is getting slices out of hdf5 - limited to ~10 frames/sec.
    Aaron notes working group with M Fuchs a couple of year ago, one of work items in R24 is build new image viewer. Likely to be one of Dan Paley's job's. Suggestion of Napari being a potential good starting point.

AOB

  • Marko planning to make PR tomorrow

Next meeting

Thursday, November 28th, 4pm (GMT), 8am (PST)

Thursday, December 12th, 4pm (GMT), 8am (PST)

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