DIALS core meeting 2024-09-19

Previous Actions

• ND Investigate getting psana tests running on the DIALS xfel-regression testing
• ND: Investigate using stable-nightly conda builds of cctbx (e.g. cctbx tests) longer term
• ND: Sync new releases with current state of dials/cbflib and main branch. Keep synced.
• ND: Get commit notificaton emails working again
  • This appears to now be working. Combination of misconfigured servers, python 2.7 and some previous manual forked changes to the upstream tool
  • Monitor over next week to check it is working

Agenda

• PS2 processing discussion, requires Graeme, defer to next time.
  • Graeme is still away this week

MCD Outlier Rejection

• AB PR: https://github.com/dials/dials/pull/2676
• Relatively happy with, touches xia2.ssx so wanted JBE to look over
• Adds lots of new settings, does not change current defaults but thinks it should do
• JBE will have a look at it

Fast-feedback indexer

• Adding the fast-feedback-indexer to DIALS
• https://github.com/dials/dials/pull/2717

Status of James’ HDF5 work

• JBE: H5 on-disk experiment: review practicalities of using this & welcome people looking at James’s work above. round trip example files could be useful - exists in dials.export.
• https://github.com/dials/dials/pull/2677
• Graeme and Nick need to have a look over
• We need a persuasive argument why we are not using NXreflection

Laue-dials tests

• Rick wanted to run these as part of dials test suite - follow up

PyCBF on PPC

• Derek Mendez queried about getting DIALS build for PPC platform. PyCBF seemed to have issues.
• Autobuild is broken, in process of moving to plain setuptools
• Also questions about long term CBFlib; this will be addressed soon

AOB

PRs

• https://github.com/cctbx/dxtbx/pull/756 - New nexus parameter - needs nxmx release
  • ND: Make nxmx release and push through to conda-forge.
• Two Takanori image viewer PRs, merged.

Next meeting

Thursday, October 3rd, 4pm (BST), 8am (PDT)