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timothygrant80 / cisTEM

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Compiling from #453 fails when not in experimental #459

Closed twagner9 closed 10 months ago

twagner9 commented 1 year ago

@bHimes

After re-basing two of my local branches onto master (#453) and testing an up to date master, I've found that I am unable to compile if not in experimental mode due to core/pdb being marked experimental in the Makefile, but core/scattering_potential not being marked experimental in the Makefile despite needing classes declared in pdb. Below is one example of the error, though there are more just like this:

../../src/core/scattering_potential.cpp: In member function 'void ScatteringPotential::calc_scattering_potential(const int*, Coords&, Image*, Image*, Image*, float, int*, int*, int, int, int, float, bool, float, float, float, float, float)’: ../../src/core/scattering_potential.cpp:196:5: error: ‘AtomType’ was not declared in this scope

I'm not sure what the preferred solution is, i.e. whether pdb.h and pdb.cpp are best removed from experimental, or if those are still in need of further work and best kept experimental, requiring some rearrangement of what is being classified as experimental. For now, compiling in with experimental features enabled is fine, it's just an error that came up when I was testing compilation after rebase.

bHimes commented 1 year ago

Hi @twagner9 good catch. I was thinking we should have +- debug +- experimental in CI, this re-enforces.

The preferred solution would be to move the pdb class out of experimental. While the simulator is evolving, it is published, well cited, and of interest to users.

More importantly, it doesn't affect other core cistem functionality, so I can't see any logic in keeping the experimental guards (unless @timothygrant80 has some other thinking?)