DIALS core meeting 2025-10-09

--- name: DIALS core meeting 2025-10-09 tags: core meeting --- # DIALS core meeting 2025-10-09 ## 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 ### DIALS Metrics on github.io - Can play with the [power BI page](https://app.powerbi.com/view?r=eyJrIjoiZWQxYzQ3OGUtZGIwYS00NDZmLTk1YjctNDU1YmViNTI5ZDNjIiwidCI6IjM5NjU3M2NiLWYzNzgtNGI2OC05YmM4LTE1NzU1YzBjNTFmMyIsImMiOjZ9) - Similar page for deposition incoming, by year / institute etc. - working out now how to integrate with the RST for dials.github.io pages. - Discussed https://github.com/dials/dials/pull/3000 - With better title/extra newsfragment removed, not reason not to merge - ND to look at Jenkins job - Consider github action to generate this ### cctbx.github.io - https://github.com/cctbx/cctbx.github.io - was built by jenkins job - been failing for ~1year with intersphinx errors - is this a thing that cctbx still cares about/builds elsewhere? - ND: Make issue and tag Aaron - https://github.com/cctbx/cctbx.github.io/issues/1 - Aaron: Billy going to rebuild - ND: Remove jenkins job that was broken anyway ### DIALS Office Hours - 3pm Thursdays was what we talked about - ND talk to JBE about running - Make informal promise for office hours, and a slack channel that people can make known that they have a request to chat/for help about a particular topic - JBE booked room, not sent out invites/ zoom yet - try to get done in next week. - [ ] Consider sending reminder to slack day before advertising - [ ] James to follow up with advert to non-Diamond people as it is happening already at DLS - Graeme suggested "themes" for the office hours - James to follow up ### Metrics - 2025-09-25 - dxtbx-side merged in, nothing yet in DIALS side to push it into the mtz history https://github.com/cctbx/dxtbx/pull/816 - Needs to be work to put in on DIALS side - Work to do: - Need to package history into MTZ, but MTZ history not the right place. Decided MTZ-appendix is the right place to put this in, but work not started yet - Aaron has offered Yang's skills as his work should cover this area - [ Write integrate and scale history to MTZ #2924 ](https://github.com/dials/dials/pull/2924) - David to dig relevant information out ### iota and Prime - Both developers moved on - Iota: trouble configuring on recent python versions - DIALS pulls from conda-forge directly - This would be a solution for XFEL - Prime easier to drop but defer decision - Aaron to ask Mona what she wants to do with Prime (still on to-do) ### Additional dependencies - `reciprocalspaceship` has been requested as a dependency in [PR 3016](https://github.com/dials/dials/pull/3016) - Python-only tool which has potential to replace some `iotbx` functionality - RSS functionality could be rewritten, does apparently provide useful stuff that could be leveraged later - general agreement ### AOAOB - Hamburg: imageset, sequences, laziness so it works on 100,000 image HDF5 files - Did some work in a branch to get stills_process to use imagesequences - Nick did some work to eliminate need for check_format - All of this is in branches that have not been revisited - Discussion about still goniometer dogma ### ImageSequence vs ImageSet - Marko is working on an NXmx-like format class for SerialED, where the beam position changes each image - It seems not possible to use `ImageSequence` for this, as it does not allow different models per image. Is this correct? - `ImageSet` works, but import and viewing images is much slower - Is there a long term plan to converge to just one of these classes, with all performance and feature issues fixed? - Suggestion to look at DMcD properties table - Discussion about serialization/deserialization overhead, brief discussion of using another form e.g. hdf5 or sqlite (for Experiment Lists). - Discussion of existing uses of mixin inheritance ### Dials data download failures - CI failing due to data downloads - Does dials-data retry? - ND has recollection that DGW was looking at this? - Possibly more agressive retention of caches? - Moved DGW to admin to allow to bypass failures due to incorrect download - Possibly: Need to check status code on file download? - Discussion: Worth hosting on LBL? ## AOB ### Neutrons - AB had email from Aaron Finke to ask about analysis - when a stable DIALS release that supports neutrons - DMcD working on last merges - Both TOF and Laue being worked on - Move this to top of next agenda so can discuss with DMcD available - AB has task to set up meeting next week, will try to involve interested parties (e.g. David's) ### ### Next meeting Thursday, October 23rd, 4pm (BST), 8am (PDT), 10am (CDT)