--- name: DIALS core meeting 2022-02-03 tags: core meeting --- # DIALS core meeting 2022-02-03 ## 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 - [ ] Nick: **Action before 3.9** - [ ] 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)) - Merged 23rd November. Do we want to set any plans for further? - [ ] **Action: GW** Make a PR/branch to remove this so that we can run things against it - DXTBX/pycbf [[prev](https://dials.github.io/kb/core/20210826#cbflib-conda-forge-packagepycbf)] * [ ] ND: conda-forge pycbf: Make new release to use dials-data directly for tests * [ ] Nick: Add lots more attribution * [ ] `dxtbx`: Now 3.8.0 our can move forwards [`conda-forge/staged-recipes#16846`](https://github.com/conda-forge/staged-recipes/pull/16846) - [ ] Nick: Make sure that HKLviewer ([prev](https://dials.github.io/kb/core/20211209#new-item-hklviewer)) works at Diamond on `module load` - [ ] Aaron: Reduce zenodo dataset for contiguous nexus - [ ] (*) Nick: dxtbx and read-only base ## Agenda ### Add option for dxtbx's libtbx_refresh to not modify conda_base - Issue [`cctbx/dxtbx#444`](https://github.com/cctbx/dxtbx/issues/444) - ND: Add environment variable to do this - Add this as default in the CCTBX - Couple of false starts - Currently awaiting feedback [`cctbx/dxtbx#474`](https://github.com/cctbx/dxtbx/pull/474) - do for ~~DIALS~~, iota, dxtbx, xia2 when accepted - **Top Priority** ### 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 - **Action: Aaron** Reduce down zenodo dataset used in the issue ([`cctbx/dxtbx#93`](https://github.com/cctbx/dxtbx/issues/93)) so that we can include it in dials-data. - Afterward: Coordinate with RG to make sure the ideas in this are integrated into new nexus reading ## PRs to remove std::string from messagepack - ~~[`dials/dials#1982`](https://github.com/dials/dials/pull/1982)~~ DO NOT MERGE - Discussion about how this is used in XFEL module - **Action:** Actually try to fix this (https://github.com/dials/dials/issues/1858) ### Merging of tables/experiments - Make merging of tables and resolution of experiment identifiers easier **Action: JBE** - work out what we need to handle and how to do this - https://github.com/dials/dials/pull/1994 - [x] **Aaron**: Write issue describing usage https://github.com/dials/dials/issues/1983 - Remove existing usage of std::string in XFEL modules ## Still process - Going to be a PR for "Diffbragg stage 1 refinement" - Uses pixel models of image to refine crystal using polychromotic spectra as per Mendez 2020 paper. - Implements an override in stills_process ## Deferred to next meeting ### Next meeting Thursday, February 17th, 4pm UK (GMT), 8am PT.