Switch from Zygote to Enzyme

[jgreener64]

Switching from using Zygote+Enzyme to just using Enzyme for AD allows us to rewrite much of the main computation code to mutate memory. This improves performance on CPU and GPU.

Opening this PR to test with CI.

[codecov]

Codecov Report

Attention: Patch coverage is 70.58233% with 293 lines in your changes missing coverage. Please review.

Project coverage is 74.05%. Comparing base (b440abd) to head (e9ad4ed).
Report is 75 commits behind head on master.

Files with missing lines	Patch %	Lines
src/cuda.jl	0.00%	70 Missing ⚠️
src/force.jl	61.16%	40 Missing ⚠️
src/energy.jl	52.43%	39 Missing ⚠️
src/interactions/implicit_solvent.jl	64.77%	31 Missing ⚠️
ext/MollyEnzymeExt.jl	0.00%	17 Missing ⚠️
src/types.jl	76.19%	15 Missing ⚠️
src/interactions/coulomb.jl	76.27%	14 Missing ⚠️
src/interactions/lennard_jones.jl	75.00%	13 Missing ⚠️
src/spatial.jl	72.09%	12 Missing ⚠️
src/interactions/buckingham.jl	72.72%	9 Missing ⚠️
... and 8 more

Additional details and impacted files

@@            Coverage Diff             @@
##           master     #182      +/-   ##
==========================================
+ Coverage   72.69%   74.05%   +1.36%     
==========================================
  Files          37       36       -1     
  Lines        5560     4942     -618     
==========================================
- Hits         4042     3660     -382     
+ Misses       1518     1282     -236     

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[wsmoses]

@jgreener64 if any of these issues are still outstanding, I can try to quickly fix if you have MWE's

[jgreener64]

Thanks for asking. It's mostly the GPU reduction stuff (JuliaGPU/CUDA.jl#2471) and any further issues that uncovers.

Also EnzymeAD/Enzyme.jl#1672 would be useful but is not blocking.

[jgreener64]

Merging this to prevent development stalling elsewhere. There are a few things that need fixing before release related to Enzyme, GPU support and docs updates.