DIALS core meeting 2025-01-30

--- name: DIALS core meeting 2025-01-30 tags: core meeting --- # DIALS core meeting 2025-01-30 ## 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 ## 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. - Modern builds now! Up to 3.11, 3.12 has API issues - xtc2 daq2 psana2 will be coming, xfel will need to handle these at some point - See above action item regarding integrating into CI tests, this should be relatively simple now. ### "FormatXTC: add wavelength_fallback parameter" - https://github.com/cctbx/dxtbx/pull/781 - Was added as PR to dials/dxtbx back in March '24 - I moved it across to cctbx/dxtbx - Still wanted? - Set to automerge when tests pass ### 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 - Probably an Aaron action - README somewhat crusty and out of date - Contact link to slack should be more prominent ### Github Actions - Aaron would still like to have a walkthrough of new actions scripts at some point - Reserve back half of one of these at some point ### 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 - Probably April - Drop for now, pick up again in future ### "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. - Probably April - Drop for now, pick up again in future ### Collaboration Meeting?! - Sleep this item until End of Feb - 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 - Discussion started ## AOB ### Dials-support stuff - Aaron wants to deprecate sourceforge dials-support and move to something with an archive - TODO: Nick/Graeme work out how to set up on Jiscmail - Aaron wants a Dials User Group! - Name the new mailing list this - [ ] ND/GW do this for next time ### Metrics - Checked PDB, very little proportion of datasets are reported as being DIALS - ND remembers this discussion at cross-developer meetings from several years ago (GRC?) and metadata gets often lost across processing - Irakli is working on properly generating metadata for deposition - Aaron has a new person starting who will also be interested in this ### Next meeting Thursday, February 13th, 4pm (GMT), 8am (PST), 10am (CST)