diff --git a/collections/_core/2023-11-30.md b/collections/_core/2023-11-30.md new file mode 100644 index 0000000..d2f5554 --- /dev/null +++ b/collections/_core/2023-11-30.md @@ -0,0 +1,100 @@ +--- +name: DIALS core meeting 2023-11-30 +tags: core meeting +--- + +# DIALS core meeting 2023-11-30 + +## 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 + +### small cell serialtbx +https://github.com/dials/dials/pull/2477 - small cell code did not make it into serialtbx yet. + +- Previously: + - AB: Did small cell xfel recently. Had sequences indexer success over stills. + - Ran sweeps indexer. Many bad indexing solutions, suspect differences down to index assignment tolerance at 0.3 hkl by default + - Can still move code into serial toolbox, but don't think best end solution is obvious yet + - Dan experience using new small cell algorithm - does index a lot of "nonsense" when you give it an incorrect unit cell, so went back to small_cell_process command line tool. Now need to dig into why it claims to work when it didn't (yay false positive debug) - on the whole good step in right direction. Work continues. +- Time needs to be applied. + +### 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 + - Merge! + +### 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` + +### 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 + +### Starting January DLS Loan of RSE +- We have someone who can do some work for 6 months on the actual codebase, refactoring, tidying etc. with a view to future optimisation + +### 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 + +### 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 + + +### Changes to retain unindexed reflections in indexers (mainly stills) +- https://github.com/dials/dials/pull/2545 + +## AOB? + +### Optimisation Post +- DLS Hiring someone to work on performance optimisation +- A position on the DIALS grant hiring soon + +### XFEL CI +- MPI backend changes has caused test failures due to output changes +- Finding HDF5 mpi installed even when not requested +- Some fixes to check imports ready to add to XFEL CI + + +### JBE Demos +- Demoing structural changes to indexing/retaining unindexed images +- Very exciting! + + +### Next meeting + +Thursday, December 14th, 4pm (GMT), 8am (PST)