DIALS core meeting 2021-02-25
- MG+ND: write a proposal for ‘overall architecture discussion’ and ‘new installer’
- MG: organise a typing intro lecture, likely to happen in Q2.
- cbflib conda-forge package
- ND to prepare an agenda for the HDRMX meeting 16-18. March 2021
- ASB to organise a side-meeting next to the HDRMX workshop
- ASB to explore what should happen to cbflib maintenance in the future
- ND to set up a
cbflib_adaptbxpull request for MAR detector fixes. Verify with
- ASB to run tests on dxtbx#288 as per comment
- PR dials#1567
- GW to run tests and merge if passing
- 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 and consolidate into a single library
Construct Experiments directly rather than via DataBlocks #288
Can this be unblocked/merged?
- AP: Dan to try and generate a non-psana reproducer for the issue found by ASB
DC2: DIALS installer
ND and MG prepared a proposal (DC2) on how the installer should work in the future.
Outcome of discussion: This is accepted as useful and we will do that. WP1 and WP2 will happen first, then we will wait a bit before going to WP3/4.
Change HDF5 plugin library
We currently use the plugin collection
hdf5-external-filter-plugins, which is built from https://github.com/nexusformat/HDF5-External-Filter-Plugins. There is no activity really in that repository. Although I did manage to build the plugin collection on Windows I never tested that, and it looks like until last week nobody else did either.
hdf5plugin is an alternative collection. It contains a proper superset of the plugins we already have, is more actively supported, has more users, and a Windows build.
When we do move over:
- there may be a need to manually uninstall the
hdf5-e-f-ppackage on existing installations
hdf5pluginpackage needs an
import hdf5pluginbefore the plugins become available, which brings us back to where we were once before.
- AP: MG to come up with a set of spells to use
- AP: GW to run a performance comparison
- AP: ws133 does not support AVX2, need to test that the conda-forge package isn’t over-optimized
- DP would like to run tests before we change over
xia2 has now renamed its main branch.
AP: MG to make this happen
End DIALS/dxtbx for Python 2
Should we upgrade the DIALS/dxtbx
if sys.version_info.major == 2: warnings.warn( "Python 2 is no longer supported. " "If you need Python 2.7 support please use the DIALS 2.2 release branch.", UserWarning, )
to a xia2 hard stop?
if sys.version_info.major == 2: sys.exit("Python 2 is no longer supported")
AP: MG to make this happen
dxtbx comparator pseudo-classes
dxtbx#302 found dxtbx comparator classes in
dxtbx.datablock. These classes (
DetectorDiff) should really be functions. Given they are in datablock they could move to
dxtbx.model.experiment_list, but possibly something like
dxtbx.model.compare makes more sense?
(This is independent of dxtbx#288 above)
AP: GW to add comment to that PR, rediscuss when ASB is present.
Thursday, March 11th, 4pm UK time, 8am PDT.