--- name: DIALS meeting 2020-11-11 tags: meeting notes --- # DIALS meeting 2020-11-11 [![hackmd-github-sync-badge](https://hackmd.io/SRLgBvh_RqKXPe5TLrMHXA/badge)](https://hackmd.io/SRLgBvh_RqKXPe5TLrMHXA) ### Azure testing Azure caching is completely broken, we've disabled caching and multi-python builds for now. Pull requests that aren't based on a recent `master` may have failing builds. Merge `master` into them to fix. ### [dials#1484: spotfinding cleanups](https://github.com/dials/dials/issues/1484) * Shouldn't be controversial. * **AP:** GW to test locally and approve ### [dials#1029: dials.index: keep input experiments and extend list](https://github.com/dials/dials/issues/1029) * RG: Although there are no specific objections there is an appreciation that this will break *everything*. * Specific use case is anything with large number of experiments and you then want to go back to indexing later * Analogy: In indexing we don't throw away unindexed reflections * DGW: I think it will work. It probably will break things, but those can be changed. In principle this sounds reasonable. * **Outcome:** Cautious support for the principle. ### [dials#1441: Set `nproc=auto` by default for spot-finding and integration](https://github.com/dials/dials/pull/1441) * ND: If we add nproc=auto then we bog down the test machine * MG: If we use nproc=1 in tests we run a different code path to users. * GW: Should possibly set nproc=2 in tests to avoid the code path issue. * RG: It will make dials easier to run for the user * **Outcome:** Merge, if there are any problems then we'll address that in the future. ### dxtbx Nexus format support * Nexus files generated at Diamond do follow the Nexus spec. * dxtbx makes parsing correct nexus files hard, as there are too many different nearlybutnotquite-formats that try to jump in with broken geometry assumptions etc. * **AP:** BW to follow up * https://manual.nexusformat.org/utilities.html#language-api-python ### Reflection matching * https://github.com/dials/dials/pull/1398#issuecomment-690123149 last on this topic - guess probably couple hours work needed? ### Adding GEMMI as dependency of DIALS Would be useful for xia2 mmcif stuff? * https://github.com/dials/dials/issues/1266 * MG: Would hold back on this until the conda-forge package is fixed: https://github.com/conda-forge/gemmi-feedstock/issues/20 * **AP:** DW to follow up ### Not discussed in this meeting * @James B-E you had something to pick up re: anomalous signal (presence or absence thereof?) * Outcomes from last collaboration call with RJR etc.