Daniel Russel

Tests of MonteCarloMovers are needed

1

In addition, they should check whatever we decide regarding optimized attributes.

Add dependencies for tests

2

Probably best to have something like the swig dependency script that computes them all in parallel. Can be done up front. It can be pretty dumb too. ctest can be...

There are no round trip tests for pdbs

1

Tests that read a file, write it back and then diff the content to make sure we process everything we should be processing.

That looks like the other clustering methods.

eg use a whole pdb with synthetic data.

Method to save coordinates and derivatives of model. Method to reload coordinates. evaluate and then compare derivatives with saved ones.

Reading into > 4GB buffer results in data being shifted

1

**Describe the Bug** `zip_int64_t read = zip_fread(f, data, capacity);` (on a relatively normal zip file on disk) if `capacity > 2^32` then the data ends up in the wrong place...

[Bug]: clang 15 defines `__GXX_RTTI` but doesn't have `cxxabi.h`

1

### Describe the issue In layout.h we have ``` if defined(__GXX_RTTI) #define ABSL_INTERNAL_HAS_CXA_DEMANGLE #endif #ifdef ABSL_INTERNAL_HAS_CXA_DEMANGLE #include #endif ``` which then falls over since cxxabi.h doesn't exist. ### Steps to...