= ChimeraX Developer Meeting =

Attendance: Eric, Zach, Tom (late), Greg

August 1, 2022

= Agenda =

* Remilestone or close 1.5 roadmap tickets
* Update !PyPi prerequisites
* Make installing on the Mac more obvious
  * More download Notes?
  * README in .dmg?
* Updating Linux compilers from CentOS7 for ISOLDE
* Github Actions continuous integration
* Mac M1 port

--------------------------
= Discussion =

I joined the meeting late at 2:30 so missed first half hour discussion.  Tom

* Move developer meetings to Monday 3 pm
  - Tom never comes on time at 2 pm (right after lunch)
  - We will try meeting at 3 pm.
  - Tom on vacation next week.

* AmberTools compile on Rocky 8
  - Daily Linux build not working due to AmberTools
  - Renamed centos7 binary prereq on plato to rocky8
  - See if tonight's ChimeraX Linux build works

* Mac universal build
  - Will Toolshed handle ARM vs Intel Mac wheels?  Greg says probably yes.
  - Should put Mac universal build as techpreview before replacing daily build.

* Mac universal wheels
  - Zach says bundle builder makes universal wheel but puts arm64 in name instead of "universal2"
  - Greg thinks updating packaging PyPi package may fix it.

* Outdated prereqs email
  - Outdated prereqs email is wrong  because it is using old CentOS 7 ChimeraX on plato.
  - Greg is making the outdated notice use Rocky 8 ChimeraX run under singularity.

* New AlphaFold database for BLAST
  - Tom says new alphafold database (214 million sequences) built and tested on plato.
  - ChimeraX 1.4 needs to keep using old database version 2.
  - Zach says BLAST tool client code passes the database version to use with queries.
  - May just need to make put the new v3 database on plato to have it working.

--------------------------
= 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

== 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