ChimeraX Developer Meeting

Attendance: Eric, Zach, Tom, Greg, Tristan

July 26, 2022

Agenda

• Updating Linux compilers from CentOS7 for ISOLDE
• Github Actions continuous integration
• Mac M1 port
• QtPy shim
• Make installing on the Mac more obvious
  • More download Notes?
  • README in .dmg?

General

ChimeraX

General

Build System

1) Supporting IDEs

• may only need editable installs (will require workaround as namespace packages cannot be installed in this mode automatically)
• editable installs should also let us call ChimeraX with Python for rapid iteration and the C launcher for detailed crash info
• Zach mentioned PyCharm, LSP (Language Server Protocol), XCode
• Greg mentioned Visual Studio

2) API for getting C headers: get_include (see: numpy.get_include)

• native-packaging moves bundle header and source files to bundle/src/include/module \
• maybe just use header files?

3) API for getting library directories: get_libdir

4) macOS compiler call in Makefiles

Infrastructure

1) Beta releases on Toolshed

2) Decoupling core bundle version number from the ChimeraX release number

3) Prereq audit after 27 June

4) arm64 port

Chimera

1) Back up the build machine to a solid state drive

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Discussion

• Updating base linux system
  • Tristan needs to compile ISOLDE using the Linux compiler for our distribution which has been devtoolset-9 from CentOS 7.
  • We no longer distribute for CentOS 7.
  • Tristan was building against our distribution (not compiling ChimeraX himself).
  • Greg proposes we update our Linux base compiler to Debian 10 or a RHEL 8 equivalent, whichever is older.
  • Greg also suggest providing a Singularity image with the compiler environment we use.
  • Currently Tristan uses a CentOS 7 virtual machine to compile and a ChimeraX 1.4 daily that was still using Qt 5.
  • Tristan uses Ubuntu 20 natively for development.
  • Tristan plans to have ISOLDE for ChimeraX 1.4 out by beginning of August before starting at Altos.

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Action Items

• Update Linux base system from CentOS 7 to Debian 10 or equivalent. Greg
• Provide Singularity image of compiler environment. Greg
• Present github continuous integration tutorial. Zach