---
name: DIALS core meeting 2023-07-13
tags: core meeting
---

# DIALS core meeting 2023-07-13

## 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
- [ ] Dropping Data Blocks (~~[#504](https://github.com/cctbx/dxtbx/pull/504)~~ [#570](https://github.com/cctbx/dxtbx/pull/570))
- [ ] **ND**: Look at DIALS failures and work out what needs to be migrated
- [ ] **AB**: Check test case on Multidimensional Images [dxtbx#612](https://github.com/cctbx/dxtbx/pull/612) is reasonable
- [ ] **DP**: Add msgpack "hot" path to include environment in cctbx ([prev](https://dials.github.io/kb/core/2023-05-04#msgpack-httpsgithubcomdialsdialspull2409))
- [ ] Work in https://github.com/cctbx/cctbx_project/commit/03a9a6797044126984a69ff30d00be6df408e43a, pending approval/merge
- [ ] [not until august at least] **JBE:** Solve "multiplex: Duplicate Batch offsets detected" [xia2#430](https://github.com/xia2/xia2/issues/430) ([prev](https://dials.github.io/kb/core/2023-06-15#xia2multiplex-fails-because-duplicate-batch-offsets-detected))
- [ ] **AB**: Check if RG test cases on [dxtbx#612 "Multidimensional Images"](https://github.com/cctbx/dxtbx/pull/612) are appropriate
- [ ] A dependency of [dxtbx#615 NX Writer](https://github.com/cctbx/dxtbx/pull/615) ([prev](https://dials.github.io/kb/core/2023-06-15#nx-writer-prev-prev)) so promote this to agenda again when done
- **AB**: Moving forward serialtbx changes ([prev](https://dials.github.io/kb/core/2023-06-15#removing-circular-xfel-dependencies-with-serialtbx)). [cctbx#872](https://github.com/cctbx/cctbx_project/pull/872) seems immediate blocker.
- **ND**: Merge Imageset Slicing PRs: https://github.com/cctbx/dxtbx/pull/634 https://github.com/dials/dials/pull/2411 ([prev](https://dials.github.io/kb/core/2023-06-15#imageset-slicing-broken))

## Agenda

### Procrunner

- CCTBX removal process merged, a few downstream libraries needed to be updated but seems to have gone smoothly.

### [`dials/2320`](https://github.com/dials/dials/issues/2320) - Cosym applies incompatible reindexing operator
- Marked as action for RG
- RG is leaving
- Some movement on ticket, what is status of this
- [x] **RG**: Investigate `dials.cosym` applies an incompatible reindexing operator ([`dials/2320`](https://github.com/dials/dials/issues/2320)) ([prev](https://dials.github.io/kb/core/2023-03-09#dialscosym-applies-an-incompatible-reindexing-operator))
- Needs a fundamentally different approach to matching algorithm to get unit cells into consistent settings.
- Needs research. Possibly applicable is upcoming Andres, Bernstein, Sauter paper.

### bit_depth_imageset
- Forthcoming NIAC meeting, GW proposal to add should pass
- Pragmatism!
- Current Nexus code camp: To be discussed and hopefully agreed this week
- Constitutional crisis! No quorum to make changes.
- We are going to continue on assumption that this was merged.

### DIALS memory usage

- [Previously AOB](https://dials.github.io/kb/core/2023-06-15#aob)
- Aaron - this should be a top priority, wants to start conversation on how we do this
- David McD made a simple_integrate script that does the basics
- Would be good as a form of testbed, see what is missing, what needs to be added. Try out different approaches without massive concern for performance.
- GW: We should accept that we are going to need a full dials_integrate rewrite
- Discussion about shoeboxes, original motivation

## AOB?

- CHESS SSX Workshop upcoming https://indico.classe.cornell.edu/event/2248/overview

### Cannot view reciprocal lattice using dials.reciprocal_lattice_viewer
- https://github.com/dials/dials/issues/2443
- Not aware of this issue
- DGW has not seen, but not tested recently

### Dropping Python 3.8

- https://github.com/dials/dials/pull/2445
- https://github.com/cctbx/dxtbx/pull/642
- Following [NEP-29](https://numpy.org/neps/nep-0029-deprecation_policy.html), the larger scientific python ecosystem is very actively dropping 3.8 now.
- Several dependencies of upstream packages have dropped (e.g. pint), numpy and scipy actively dropping (or dropped). Seeing dependency issues.

### Note on DLS Jungfrau Commissioning?

- Spun onto discussion on MPI at diamond, serial merging and xfel merge - approaches to multi-node processing.

### DIALS-support

- Error importing .cbf files using DIALS
- **ND** has agreed to take a look at this also

### Next meeting

Thursday, July 27th, 4pm (BST), 8am (PDT)