= ChimeraX Developer Meeting = Attendance: Eric, Zach, Tom, Greg, Scooter May 15, 2023 = Agenda = * Release initial ChimeraX library on PyPi or Conda * ChimeraX 1.7 roadmap * Update ChimeraX prereqs * Python updating plan, binary patch releases only available for 1.5 years after each release. * 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 -------------------------- = Discussion = * Update ChimeraX to Python 3.11 - Zach will try compiling ChimeraX for Python 3.11 using a branch he made months ago. - Should test building on Mac ARM/Intel, Linux and Windows before making the move to 3.11. - Tinyarray, pyopengl-accelerate and tables may need to be compiled by us. * ChimeraX library - User asked on mailing list about using ChimeraX in notebook (possibly Google Colab). - Zach has initial version of library with gui code removed. - Need examples and documentation to use the library. - Might release initially just for linux built for one Python version. - CZI grant funding library ends Aug 1, 2023. Probably will ask for extension. But initial library should be released before then. * Plato update to Rocky 8 - Power outage Tuesday night 11 pm to Wed 6 am. - Plan is to switch to Rocky 8 after outage. * mmCIF out of memory errors - Got another report with user email, but no reply from any user yet. - Greg has added a sanity check when allocating size of memory mapped file. - Greg changed error message so it is distinct from system out of memory message. * Memory leak opening and closing atomic models - Eric solved biggest memory leak opening and closing atomic models. - Looking for source of next biggest leak. - Discussed flushing in-memory ligand cache in mmCIF reader so those don't accumulate when loading all PDB models. * ChimeraX builds with Github actions - Might be troublesome accessing licensed PyQt from could machine. -------------------------- = Action Items = - Present github continuous integration tutorial. Zach - Beta releases on Toolshed - make ticket for this. Greg