DIALS core meeting 2023-06-15
- ND: PR to remove
std::stringsupport for messagepack from dials code
- ND Investigate getting
psanatests running on the DIALS xfel-regression testing
- Dropping Data Blocks (
- ND: Look at DIALS failures and work out what needs to be migrated
- RG: Investigate
dials.cosymapplies an incompatible reindexing operator (
- AB: Check test case on Multidimensional Images dxtbx#612 is reasonable
- DP: Add msgpack “hot” path to include environment in cctbx (prev)
- Work in https://github.com/cctbx/cctbx_project/commit/03a9a6797044126984a69ff30d00be6df408e43a, pending approval/merge
- JBE: Solve https://github.com/xia2/xia2/issues/430
- Dependent on dxtbx#612 “Multidimensional Images”
- Richard added basic test case -> Aaron is ok?
Removing circular xfel dependencies with serialtbx
- Set of PRs to implement
- CCTBX: https://github.com/cctbx/cctbx_project/pull/872 - contains descriptions of all changes made
- dxtbx: https://github.com/cctbx/dxtbx/pull/627
- dials: https://github.com/dials/dials/pull/2404
- iota: https://github.com/ssrl-px/iota/pull/5
- xfel_regression https://gitlab.com/cctbx/xfel_regression/-/merge_requests/10
- We all need to look at things
- Schedule some time next week at DLS to look over these PRs
- ND reviewed, looks OK
, please can we hold off from merging until the dust settles from scan and polybeam changes.
- ASB happy for this to hold off a couple weeks for non-technical reasons
- Discussion about dynamic masking in NXmx.
- Defer until DP back, recollection on this discussion is fuzzy
- Action: RG to have look at
- Suggested alternate NXmx change https://github.com/dials/nxmx/pull/21
- Discussion concluding that “Static” is probably okay for “Precaculated” masks, even if it changes from frame-to-frame, and “Dynamic” would imply calculated at anaylsis.
- General agreement that this is fine, as long as we clarify the meaning of static on the function docstring
- Discussed motivations, AB & DP going to go back and validate that it fulfills the requirements of the data processing that was intended by these changes
- Re-address when ready for submission again
xia2.multiplex fails because “Duplicate batch offsets detected”
- Longstanding (>3 years) issue: https://github.com/xia2/xia2/issues/430
- Now getting reports from real user data
- Potential solution suggested to never share Scan objects cctbx/dxtbx#152
- implement non-sharing of Scan objects - no logic for doing so, since readonly?
- JBE: Do this
Imageset slicing broken
- Fix now ready at https://github.com/cctbx/dxtbx/pull/634 and https://github.com/dials/dials/pull/2411
- Anyone else want to look?
- When merged, will require reversion of changes to azure-pipelines YML files to checkout specific dxtbx branch
- DGW thinks this one can be merged without contention - needs sync’d repo merge
- rebase this branch on top of Scans branch & run tests
- Tie off loose ends and merge internally
- ND Merge tomorrow
- Forthcoming NIAC meeting, GW proposal to add should pass
- Current Nexus code camp: To be discussed and hopefully agreed this week
CHESS SSX Workshop upcoming https://indico.classe.cornell.edu/event/2248/overview
Aaron Finke was asking Graeme if we had considered how to address the memory requirement issues.
- ND: Don’t think you could refactor, think would need to re-approach the problem
- AB: New grant application mentions this issue, would potentially have resources to assign people to the problem
Thursday, June 29th, 4pm (BST), 8am (PDT)