QT5 may cause hard to interpret import errors on older Linux kernels:
https://bbs.archlinux.org/viewtopic.php?id=232682

Otherwise it will fail if you provide a non-absolute working directory

same as commit 69f90c46

makes it easier to re-use elsewhere

The test_Interpolate unit test has been reported to fail when executed
on different platforms (arm64 in this case).

The test_simulation_energy_calculations unit test compares the potential
energy of crambin after 200 steps steepest descent with a reference value.
Depending on OpenMM version / hardware, we might get slight differences
that propagate through the minimization.

CMake now takes care of extracting the major, minor and patch version of Python

I assume there was good reason to add it...

You might have to adapt CMake flags when building OpenStructure to variables specified here:
https://cmake.org/cmake/help/latest/module/FindPython.html

First entry is about adding the -pthread flag to resolve linking
problems. Has been observed on the scicore cluster and reported
by Yuri (FreeBSD 12.2).