DIALS core meeting 2025-01-16

Previous Actions

• ND Investigate getting psana tests running on the DIALS xfel-regression testing
• ND: Move dials.diamond.ac.uk to a redirect to dials.github.io
• ND: Please add Central US time to meeting time on agenda.

Agenda

Python 3.10 and psana

• psana repo: https://github.com/lcls-psana/psana
• cctbx environment for running: https://github.com/cctbx/cctbx_project/tree/master/xfel/conda_envs
• Azure yml: https://github.com/cctbx/cctbx_project/blob/master/.azure-pipelines/xfel/unix-psana-build.yml
• Request to build on anaconda channel lcls-i have been made, undetermined timescales before this is built for python 3.10
• Wait until 3.10 version is available, add to xfel-regression tests, then address long-term situation.

Aaron dials web-page PRs

• Aaron wants link to slack channel on webpage
  • Link on front of DIALS README still works, should add this
  • ND: Action: Replace dials-support link with slack link

General README overhaul

• New grants not listed!
  • Probably an Aaron action
• README somewhat crusty and out of date
• Contact link to slack should be more prominent

Github Actions

• Aaron would still like to have a walkthrough of new actions scripts at some point
• XFEL-regression has had issues appear with MPI backend
  • Seems to be related to https://github.com/conda-forge/openmpi-feedstock/issues/185
  • Believe these are solved now

MCD Outlier Rejection

Previous:

• AB PR: https://github.com/dials/dials/pull/2676
• Relatively happy with, touches xia2.ssx so wanted JBE to look over
• Adds lots of new settings, does not change current defaults but thinks it should do
• JBE will have a look at it
  • JBE Has had a look! Has feedback/suggestions https://github.com/dials/dials/pull/2750
  • AB will have a look

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

• https://github.com/dials/dials/pull/2615
• Status: waiting on Aaron to review, not pressing so likely not in immediate future.

Collaboration Meeting?!

• Graeme requested to add
• AB: Dials workshop in association with a user meeting? Two days workshop two days DIALS perhaps? Discuss!
• GW: Kick off conversation in dials-support about this

AOB

Next meeting

Thursday, January 30th, 4pm (GMT), 8am (PST), 10am (CST)