= ChimeraX Developer Meeting =

Attendance: Eric, Zach, Tom, Greg

September 11, 2023

= Agenda =

* pip install procedure; use Python or ChimeraX binary; ChimeraX binary goals
* ChimeraX library; feasibility of removing NoGUI mode, toolshed, user commands
* Wording of LGPL notice / which files to change
* Wisdom of making Qt/chimerax.ui imports fail in nogui mode
* Toolshed website spinning progress never goes away.
* mmCIF out of memory
* Update ChimeraX prereqs
* Release initial ChimeraX library on PyPi or Conda
* ChimeraX Ideas milestone clean-up.
* Install Grafana 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 =

* mdtraj pip install error
  - Bundle developer Barry has had problems getting C source code mdtraj PyPi package to install.
  - Eric will advise Barry how to include the compiled mdtraj in his bundle for Linux, and possibly for Windows and Mac.
  - Greg and Zach discussed pip install technical issues about getting the bundles into the ChimeraX user location.
  - Greg will try to figure out the mdtraj pip install error when installing Barry's bundle and report this Thursday.

* ChimeraX library, user commands and Toolshed
  - Need to include toolshed in library since every bundle __init__.py imports it.
  - Won't have toolshed module contact web server when using library.
  - Would like user commands to be runnable with the Python run() function as this is used in many Python scripts.
  - Commands are registered by Toolshed using distinfo files in site-packages that include command declarations that came from bundle_info.xml or pyproject.toml.
  - In a future library release we can try to make run() work to execute user commands.

* LGPL license text for ChimeraX library
  - Looked at examples of LGPL license text to put at the top of source code files.
  - Zach will propose what text to use.

* Qt imports for ChimeraX library
  - Qt won't be part of ChimeraX library so code we provide should not import Qt even if it is not used.
  - Greg made the ChimeraX app in nogui mode give an error if Qt imported, and this broke the sequence alignment header nogui test suite code.
  - Decided we should not generate an error when Qt imported in ChimeraX app in nogui since this will break user scripts.  We need to do adequate testing before making such a change.  Also Toolshed bundles are likely to have top level Qt imports in custom init code.

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