--- name: DIALS core meeting 2021-04-22 tags: core meeting --- # DIALS core meeting 2021-04-22 [![hackmd-github-sync-badge](https://hackmd.io/N5MPuiqtQGyfdX4lCVerbg/badge)](https://hackmd.io/N5MPuiqtQGyfdX4lCVerbg) ## Previous Actions * [ ] MG: organise a [typing intro lecture](https://dials.github.io/kb/core/20200917#typing-mypy), likely to happen in Q2. * [ ] ND to set up a [`cbflib_adaptbx` pull request](https://dials.github.io/kb/core/20201125#cbflib_adaptbx-dependency) for MAR detector fixes. Verify with `labelit_regression`. * [ ] [dx2 proposal](https://dials.github.io/kb/core/20210128#dx2-proposal) * [ ] MG to put in a PR to create a proposal in the proposal-space * [ ] MG+ND: Come up with a proposal to [move away from all code being in header files](https://dials.github.io/kb/core/20201001#overall-architecture-discussion) and consolidate into a single library * [ ] [Move to `hdf5plugin`](https://dials.github.io/kb/core/20210225#change-hdf5-plugin-library) * [ ] MG to [come up with a set of spells](https://dials.github.io/kb/core/20210225#change-hdf5-plugin-library) to use `hdf5plugin` * [ ] GW to [run a performance comparison](https://dials.github.io/kb/core/20210225#change-hdf5-plugin-library) * Provided an initial version of performance comparison code: https://gist.github.com/ndevenish/bf03b390adddb33089a8c6a70e8f4936 - we can run this with different plugins to assess whether there is any difference in run-time just paging through the data. * [x] Need to test that the conda-forge package isn't over-optimized [by running on `ws133`](https://dials.github.io/kb/core/20210225#change-hdf5-plugin-library) -- MG: conda-forge package has AVX2 disabled. ## Agenda ### Discuss changes merged into cctbx [modify_cosym](https://github.com/cctbx/cctbx_project/commit/51d18a8d5783c2779d3afa17449663a505444d3a) - Hooking into cosym to do functionality, which was inadvertantly broken by [dials/dials#1647](https://github.com/dials/dials/pull/1647) - Several pull requests in flight to fix this - Main consequence is that reindexed datasets are not coloured any more - (Discussion about differences between Brehm/Diederichs and what Cosym is doing) - Limiting B/D to indexing ambiguity avoids problems with trying to match full sets of symmetry operators together ### Adding XFEL-regression to dials Azure tests - Draft branch to add to Azure [here](https://github.com/dials/dials/compare/main...phyy-nx:xfel_azure) - `linux_uncached_xfel` pipeline runs and passes - Wants to make a PR to start having it better tested on dials repository - AB: Observing timeout problems with some pipelines - would be good to check on main PR - Discussions on what happens when downstream `xfel_regression` tests break - concerns that DIALS team would have no way to make these fixes go away - MG: Perhaps the build time requirements would benefit from building on top of the conda-forge cctbx package instead of rebuilding every time - Discussed running on PRs only instead of every push - Conclusion: **Aaron to make pull request** for wider study and discussion ### [cbflib conda-forge package](https://dials.github.io/kb/core/20201125#cbflib-conda-forge-package) * [x] ASB to organise a side-meeting next to the HDRMX workshop * What happes with cbflib maintenance in the future * Discussed outcome from HDRMX meeting and next steps * Changing so that tests pass on Debian downstream - this is an essential use case and new releases cannot break this * HB estimates graduate student project with approximately 3 months of effort required * Try current release - regenerate pycbf but leave old sources; and see if it works **Action: Nick to do testing this** * we could just release 0.9.6 on conda-forge with some light patching over the top if this works ## Deferred to next meeting ### [cctbx/dxtbx#288](https://github.com/cctbx/dxtbx/pull/288) "Construct Experiments directly" post-merge outstanding issues - [cctbx/dxtbx#336](https://github.com/cctbx/dxtbx/issues/336) - DataBlockFactory broken for single images - XFAIL test for this now put in: [cctbx/dxtbx#337](https://github.com/cctbx/dxtbx/pull/337) ### Next meeting Thursday, May 6th, 4pm UK (BST), 8am PDT.