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Enable CMake Debug builds #1184

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@foxtran foxtran commented Feb 6, 2025

At the current moment CMake Debug builds are not tested in CI. Unfortunately, they can not be enabled since they always fail. This PR checks the current status of CMake Debug builds.

As of Feb 6, 2025, 9 AM CET:

Broken Aarch64 tests:

The following tests FAILED:
	 88 - xtb/docking (Failed)
	 94 - xtb/hessian (Failed)
	101 - xtb/peeq (Failed)
	106 - xtb/vertical (Failed)

Broken x86_64 tests:

The following tests FAILED:
	 57 - tblite/gfn1-xtb (NUMERICAL)
	 88 - xtb/docking (NUMERICAL)
	 90 - xtb/gfn0 (NUMERICAL)
	 91 - xtb/gfn1 (NUMERICAL)
	 93 - xtb/gfnff (Failed)
	 94 - xtb/hessian (Failed)
	 95 - xtb/iff (NUMERICAL)
	106 - xtb/vertical (Failed)
	107 - xtb/wsc (Failed)
	116 - xtb/GFN0-xTB (NUMERICAL)

Broken x86_64 tests in Release:

The following tests FAILED:
Errors while running CTest
	108 - xtb/cpx (Failed)

With error:

At line 100 of file /home/runner/work/xtb/xtb/_build/_deps/cpcmx-src/src/cpcmx/initialize.f90 (unit = 5, file = 'xtb.cosmo')
Fortran runtime error: End of file

Error termination. Backtrace:
#0  0x7f8952623e59 in ???
#1  0x7f8952624a71 in ???
#2  0x7f89528bb6c3 in ???
#3  0x7f89528b437e in ???
#4  0x7f89528b502f in ???
#5  0x55b56d1fc92a in __initialize_cosmo_MOD_read_cosmo
#6  0x55b56cf6d677 in __xtb_solv_cpx_MOD_setup_cpcmx
#7  0x55b56cda7edd in __test_cpx_MOD_test_cpx_solv
#8  0x55b56ccbf713 in run_testsuite.4.constprop.0
#9  0x55b56ccc0402 in MAIN__
#10  0x55b56ccbf0ce in main

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