---
name: DIALS core meeting 2023-12-14
tags: core meeting
---

# DIALS core meeting 2023-12-14

## Previous Actions

- [ ] **ND**: PR to remove `std::string` support for messagepack from dials code
- [ ] **ND** Investigate getting `psana` tests running on the DIALS xfel-regression testing
- [ ] **ND** or **DW**: Cannot view reciprocal lattice using dials.reciprocal_lattice_viewer [#2443](https://github.com/dials/dials/issues/2443)
- Probably needs someone to dig into windows gltbx behaviour, or at least work out where issue lies
- Reports from CCP4 workshop that people are having issue on latest ubuntu
- David reproduced the problem which is progress...
- **ND**: Investigate using stable-nightly conda builds of cctbx (e.g. cctbx tests) longer term

## Agenda

### dials.cosym finds the right operator but puts it wrongly
- [dials#2486](https://github.com/dials/dials/issues/2486)
- Draft PR at https://github.com/dials/dials/pull/2497
- Pulled in other problems that need to be worked through
- Potential fix opened a large box of problems
- GW believes needs a rethink and a rewrite and patching is essentially impossible
- GW and DP to discuss on 27th
- Met! DP has made some progress but had other obligations
- Recent attempt... regression test pass but Takanori's case still fails
- We are back where we started, but with a better understanding of the problem and some belief that what we are doing is correct => the issue is perhaps somewhere else
- DP to continue on the quest
- JBE Solved!
- For some symmetries, lattice/space group symmetries were misapplied
- PR: https://github.com/dials/dials/pull/2548
- JBE merged

### Build fails on latest ventura
- https://github.com/dials/dials/issues/2522
- GW to update from 13.3 to 13.6 to try this out
- ND Looked but could not replicate, need to reinvestigate with more of user's environment
- **ND**: Follow up
- **GW**: Also had a quick look, missing `exe_dev`
- CC and CXX were set in user environment
- Other ccp4io_adaptbx errors, handle separately

### Reports of build failures on RHEL8
- JBE noticed some CI tests started to fail on linux / bootstrap but not regular linux
- Should we think about moving the default to a cmake build (DP notes this would diverge further from the XFEL regression tests)
- JBE to test clean bootstrap in RHEL8 (ws448)
- Now Working
- ND planning to move DIALS to prebuilt CCTBX
- Went away by itself

### Add support for Pilatus 4
- GW has data, has promised to ensure works - apropos to this the current issue is
- Pls can has review on https://github.com/cctbx/dxtbx/pull/663
- DECTRIS fixed a bug that inverted order
- Now Merged

# https://github.com/cctbx/dxtbx/issues/675

- Same as pilatus issues happening to eiger with new DECTRIS
- Dimensions, fast, slow all inverted so all this needs to be sorted out
- Graeme waiting for example data to sort this out

### Removing setting batch offset when creating imagesets

- https://github.com/cctbx/dxtbx/pull/662
- We no longer need the batch offset => we can just remove it after changes by DGW
- Much testing and reviews please
- DP also to test via XFEL-regression
- JBE holding off for more testing
- (2023-12-14) Testing actively under progress, should have an answer later today

## AOB?

### Windows support
- User error reports using DIALS on Windows - needs DIALS from CCP4 - who should support? Prompted by

WARNING: Potential blank images: 1421 -> 1430
------------------- Autoindexing SWEEP1 --------------------
Error: dials.index failed, see log file for more details: D:\APOT7-4-L4\CCP4_JOBS\job_34\DEFAULT\NATIVE\SWEEP1\index\5_dials.index.log
Please send the contents of xia2.txt, xia2-error.txt and xia2-debug.txt to:
[e-mail]

- **DGW Handling**

### Adding xia2 to conda-forge
- This needs to happen
- Also, graphical fails on windows => **ND Action:** Fix these

### JBE Demos
- Demoing structural changes to indexing/retaining a crystal-less experiment object, to explicitly link the unindexed reflections for each imageset. JBE has implemented expeditor class to use at start of command-line programs to maintain compatibility of existing experiment list structures.
- Draft PR https://github.com/dials/dials/pull/2567
- Aaron suggest running xfel.merge to test
- Extended discussion about how far through the processing pipeline the crystal-less experiment object should be kept. If possible to output after integration, then all data reduction programs must be able to handle. Conclusion was that integrated data is fundamentally different to pre-integrated data, therefore have no need to have unindexed experiments in output of integration (this can always be added in future if use case arises).
- JBE to finish PR - updating all command line programs and updates following discussion (before Christmas). Then give people chance to test in new year.
- Also need to check xia2, and follow up with other users to assess any impacts - Neutron work? (David McDonagh), Laue work? (K Dalton, R Hewitt).
- GW suggested making a special release in order to test this changeset at DLS (in new year).
- Aaron would like dials.stills_process to have this feature for indexed output - GW suggested using ImageSequences is a prior requirement for clean implementation. So won't be included as part of this PR.

### Next meeting

Thursday, January 11th, 4pm (GMT), 8am (PST)