In principle, I suggested a 06/02 release (i.e., 2nd June) and obviously that didn’t happen - in large part because May was busier with other work.
I have a few pieces that I’d like to see (in addition to continuing bug fixes, etc.) for the next release this summer:
- Internal UFF implementation
- Finish debugging analytical gradients
- Migrate Mac and Windows packages to Qt6
- Merging volumetric rendering
- Initial “auto optimize” tool implementation
- Integrate pixi for plugin installations
This release will also include optional builds / installs with the xtb plugin - at least on Mac and Windows.
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What is the status of the Windows migration to Qt6? Last time I attempted this I was immediately shut down by a build error from some error in my Qt6 toolchain file, something beyond my understanding at the time.
I’m also keen to get a working debug build for Windows, although that seems a bit less pressing than the Qt6 migration since the debug build instructions will likely change once the Qt6 migration is complete. If I recall correctly the initial error in the debug build was something about zlib having its name changed to zlib-1 but the debug version tried to call it zlib-d and everything errored after that. Could be that something has changed since then, but I’m not 100% sure.
It would help if you can find the actual error. It should be building now, based on the GitHub builds. (There was a minor issue with a header that I fixed last week.)
As far as the zlib / debug question, I think only Open Babel uses zlib (e.g., for automatically reading file.pdb.gz). It can be safely turned off for a debug build.
As far as the migration to Qt6, the main thing for Mac and Windows at this point is working on the macdeployqt and windeployqt tools and their CMake bits in avogadroapp.
My hope is to get the Mac package working this week.
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