DIALS core meeting 2021-12-09

--- name: DIALS core meeting 2021-12-0 tags: core meeting --- # DIALS core meeting 2021-12-09 ## Previous Actions - [ ] dxtbx `src/` layout [[prev](https://dials.github.io/kb/core/20210715#src-layout-for-dxtbx)] - [ ] Nick: Outstanding issues with dispatcher re-export on windows - [ ] This is a higher priority now - David feeling pain of missing - [ ] Also, seeing related errors "in the wild" e.g. [`cctbx/dxtbx#434`](https://github.com/cctbx/dxtbx/pull/434) - [ ] Removal of DataBlock [[prev](https://dials.github.io/kb/core/20210909#datablock), [prev](https://dials.github.io/kb/core/20210826#removal-of-datablock)] - [x] **Nick:** More visible deprecationwarning ([`cctbx/dxtbx#448`](https://github.com/cctbx/dxtbx/pull/448)) - [ ] Impact assessment to see what/who is affected - [ ] Other repositories - stuff like, iota, prime, ls49, labelit, labelit-regression, xfel-regression, lunus, uc_metrics gitlab/cctbx*, phenix and phenix_regression (phenix.image_viewer) - DXTBX/pycbf [[prev](https://dials.github.io/kb/core/20210826#cbflib-conda-forge-packagepycbf)] - Outstanding: [`dxtbx#368`](https://github.com/cctbx/dxtbx/pull/368) for optional cbflib/_adaptbx . * [ ] ND: conda-forge pycbf: Make new release to use dials-data directly for tests * [ ] Last status: one `labelit`/`labelit_regression` test still doesn't pass * All except one labelit tests are now working. On NKS todo list to fix. * Progress on CBFlib 0.9.7? * **Action**: Nick: Lots more attribution - [x] Nonconventional P1 indexing [[prev](https://dials.github.io/kb/core/20210923#nonconventional-p1-indexing)] - [x] [`dials/dials#1880`](https://github.com/dials/dials/pull/1880) - [x] Possible numeric instabilities remaining in e.g. `minimum_cell` - [x] **RG:** Going to look into this at some point - [ ] Deterministic Experiment Identifiers [[prev](https://dials.github.io/kb/core/20210923#deterministic-experiment-identifiers)] - [ ] **Aaron:** Change `dials.stills_process` to default to composite mode and not write experiment files - [ ] **GW/Aaron**: Organise another meeting to go over ["load before heat death"](https://github.com/cctbx/dxtbx/pull/118) PR and reasons why, solutions etc - [x] Organised for 9th November GW/AB 8am PST meeting - [ ] Not going to treat now, will go back to in new year and re-evaluate if required ## Agenda ### New Item: HKLViewer Introduction from Rob Oeffner on his HKL viewer - please take a look at the video at https://www.dropbox.com/s/kh14ekd910snfd2/Hklviewerdemo-3.m4v?dl=0 in advance if you have a chance - Action: Nick: Make sure that it works on `module load` ### Contiguous Nexus - [ ] "Contiguous Nexus" [`cctbx/dxtbx#356`](https://github.com/cctbx/dxtbx/pull/356) - [ ] Non-draft state is pending checks against issues @dwpaley raised, and checking for non-contiguous cases [[prev](https://dials.github.io/kb/core/20210715#contiguous-nexus-pr)] - AB wants this to be applied against new nexus writing - RG: Probably useful to mock up an example in the nxmxtests - Probably useful to reduce down zenodo dataset used in the issue ([`cctbx/dxtbx#93`](https://github.com/cctbx/dxtbx/issues/93)) come to pass - **Action**: Coordinate with RG to make sure the ideas in this are integrated into new nexus reading ### Removal of DataBlock - 2020 ls49 repo for paper uses datablocks ### ImageSet/ImageSetData memory usage - [`cctbx/dxtbx#438`](https://github.com/cctbx/dxtbx/pull/438) - Described PR and associated other branch - This PR not yet working. Hope to have time to work before november meeting - Working now - Next meet 9th December - Action: Merge ### Nonconventional P1 indexing - ([prev](https://dials.github.io/kb/core/20210923#nonconventional-p1-indexing), [prev](https://dials.github.io/kb/core/20210909#nonconventional-p1-indexing)) - Problem with P1 indexing not being returned in user-specified setting/order - Issue at [`dials/dials#1878`](https://github.com/dials/dials/issues/1878) - PR to fix: [`dials/dials#1880`](https://github.com/dials/dials/pull/1880) ### Add option for dxtbx's libtbx_refresh to not modify conda_base - [`cctbx/dxtbx#444`](https://github.com/cctbx/dxtbx/issues/444) - ND: Add environment variable to do this - Add this as default in the CCTBX ### Next meeting Time zone - UK clocks move on 31st October - California clocks move on 7th November - Next meeting is either 4pm GMT/ 9am PDT or 3pm GMT/ 8am PDT - 4/9 is good ## Deferred to next meeting ### Next meeting Jan 13th