DIALS core meeting 2024-10-17

--- name: DIALS core meeting 2024-10-17 tags: core meeting --- # DIALS core meeting 2024-10-17 ## Previous Actions - [ ] **ND** Investigate getting `psana` tests running on the DIALS xfel-regression testing (see Github Actions) - [ ] **ND**: Sync new releases with current state of dials/cbflib and main branch. Keep synced. ## Agenda ### PS2 processing discussion - Requires Graeme, deferred from several last times - Had issues processing PS2 data taken at Diamond - Graeme suggests setting up dedicated zoom chat ### Commit notification emails - [x] **ND**: Get commit notificaton emails working again - Discovered misconfigured servers, python 2.7 and some previous manual forked changes to the upstream tool - It is still not working - Tested builtin GitHub "Commit notifications" - This is noisier as we have no control over branch - Is this acceptable? - Other fallback is subscribing to "watch" repository - Can also continue with on TODO list - Call this done, if this level of verbosity is annoying we can revisit ### Making CMake default for DIALS bootstrap - ~~https://github.com/dials/dials/pull/2755~~ Merged - Fixed a set of build errors that have been creeping in - Fix for libtbx [removals](https://github.com/cctbx/cctbx_project/commit/079f2da03736d72efb520cc2b3df8b472d50b218) that completely broke all our CI/workflows. - Full libtbx/cctbx still supported with `--libtbx` (and no plans to remove) - Has been very useful for people to run development builds quicker! ### Github Actions - ND in progress of migrating CI to github actions - Getting XFEL-regression working again main TODO, will be able to have as explicit step (less confusing than current) - Should relieve pressure on azure pipelines limits, make easier to see what is going on - I like Github Actions! Much nicer to use than Azure/Gitlab - Have a walkthrough of new actions scripts at some point ### Handle the case of very few reflections for a given dataset in weighted cosym analysis - https://github.com/dials/dials/pull/2741 - Broke xfel-regression - Test actually failed in CI, but showed green tick -> Should fix with Github Actions rewrite - James will run tests and check fix ### MCD Outlier Rejection - 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 - AB will have a look, check next time ### Fast-feedback indexer - Adding the fast-feedback-indexer to DIALS - https://github.com/dials/dials/pull/2717 - Conda-forge upstream PR still in progress, HC currently on leave ### Status of James' HDF5 work - [ ] **JBE**: H5 on-disk experiment: review practicalities of using this & welcome people looking at James's work above. round trip example files could be useful - exists in dials.export. - https://github.com/dials/dials/pull/2677 - Graeme and Nick need to have a look over - Had a look this week, a few changes then look again - This solves some problems we have been having - We need a persuasive argument why we are not using NXreflection - AB thinks should be NXReflections - NXReflections is not an application definition; is a base class - Does not want to create a new file format - GW emphasises that should match the internal representation because is not intended as interchange, storage file should match what we want to read/write - Long discussion without agreement, parties agree to defer until future discussions. ### Laue-dials tests - Rick wanted to run these as part of dials test suite - follow up ### PyCBF on PPC - 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 ### PR: NXmx: read data_scale_factor - https://github.com/cctbx/dxtbx/pull/756 - Needed nxmx release - **ND**: Make nxmx release and push through to conda-forge. - This is done - CI errors appear to be legit ### "Add the ellipsoid profile model as an option in dials.stills_process" - https://github.com/dials/dials/pull/2615 ## AOB ### Other PRs ### Next meeting Due to time zone changes the normal meeting time must change: Thursday, October 31st, 4pm (GMT), 9am (PDT) or Thursday, October 31st, 3pm (GMT), 8am (PDT)