= ChimeraX Developer Meeting =

Attendance: Eric, Zach, Tom, Greg

July 31, 2023

= Agenda =

* Should ChimeraX 1.7 use Qt 6.5 which requires macOS 11?  Ticket #9421
* Toolshed website spinning progress never goes away.
* Mac dual display crash
* mmCIF out of memory
* Update ChimeraX prereqs, PyQt 6.5.1
* ChimeraX Protein Science paper progress
* Release initial ChimeraX library on PyPi or Conda
* Chimera/ChimeraX notarization scripts need updating, Apple deprecated altool command Fall 2023 [https://www.rbvi.ucsf.edu/trac/ChimeraX/ticket/7234 #7234]
* ChimeraX Ideas milestone clean-up.
* Install Splunk on plato to monitor web services.
* Back up the Chimera build machine to a solid state drive, Windows 7?
* Toolshed bundle requirement checking
* Discuss possible OpenMM and VR improvements for Tristan and Altos to pursue

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= Discussion =

* Modeller jobs get killed
  - There is a worker pool of 10 or 20 workers.
  - If job goes over 3 hours it gets killed by a monitoring process.
  - There is no useful error logged.  User just sees "job failed", and they are likely to try again.
  - Eric suggests maybe a 6 hour limit is better.
  - Do not yet have sessions save in-process modeller jobs.
  - Saving a session should warn that modeller jobs was not saved.

* Warning about Modeller and AlphaFold will be lost at quit
  - Might want to interrupt quit and warn when computation will be lost.
  - Had this capability in Chimera.

* Automatic install of ChimeraX daily on Mac not working
  - rsyncs dmg, mounts, and then cp fails, can find ChimeraX_daily.app in dmg.
  - Eric and Tom looked and it worked when steps run by hand.

* PyPi ChimeraX library
  - Zach applied for an RBVI PyPi account.  Waiting for approval.

* Web service log viewer
  - Current plan is to use Grafana.
  - Splunk resisted being containerized with singularity despite significant efforts by Zach.
  - Grafana is the viewer and there are two other programs that go with it to parse logs and manage a database.
  - Discussed whether Grafana should be containerized.  Greg thinks no, because we don't update our containers because of the extra work of updating that way.

* Backups for old Chimera build machines
  - Still plan to get a small SSD drive to make a copy of Windows 7 Chimera build machine disk.
  - Tom put a backup drive on essex2, the old Mac 10.14 build machine.

* PDB new connectivity info
  - New mmCIF fields for N and C atoms of amino acids to help with connectivity.

* mmCIF reading crashes
  - Still get 3-5 crash reports per week, all on Windows ChimeraX 1.6
  - Not sure if it is fixed in ChimeraX daily, no crash reports, but there were very few in older daily builds.


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= Action Items =
  - Present github continuous integration tutorial.  Zach
  - Beta releases on Toolshed - make ticket for this. Greg