Tests fail with "Eigenvalues did not converge" error

[rafaelpap]

If I use numpy 1.20.3 all tests pass. But using numpy 1.21.2 the following messages appear:

FAILED thermoanalysis/tests/test_thermochemistry.py::test_g16_thermochemistry - numpy.linalg.LinAlgError: Eigenvalues did not converge
FAILED thermoanalysis/tests/test_thermochemistry.py::test_orca_thermochemistry - numpy.linalg.LinAlgError: Eigenvalues did not converge
FAILED thermoanalysis/tests/test_thermochemistry.py::test_orca42_thermochemistry - numpy.linalg.LinAlgError: Eigenvalues did not converge
FAILED thermoanalysis/tests/test_thermochemistry.py::test_orca42_benzaldehyde - numpy.linalg.LinAlgError: Eigenvalues did not converge
FAILED thermoanalysis/tests/test_thermochemistry.py::test_orca_bigger - numpy.linalg.LinAlgError: Eigenvalues did not converge
FAILED thermoanalysis/tests/test_thermochemistry.py::test_orca_invert[0.0-0.25709996] - numpy.linalg.LinAlgError: Eigenvalues did not converge
FAILED thermoanalysis/tests/test_thermochemistry.py::test_orca_invert[-20-0.25522808] - numpy.linalg.LinAlgError: Eigenvalues did not converge
FAILED thermoanalysis/tests/test_thermochemistry.py::test_orca_ts - numpy.linalg.LinAlgError: Eigenvalues did not converge
FAILED thermoanalysis/tests/test_thermochemistry.py::test_irc_logs[24-0.62709533] - numpy.linalg.LinAlgError: Eigenvalues did not converge
FAILED thermoanalysis/tests/test_thermochemistry.py::test_irc_logs[63-0.62781152] - numpy.linalg.LinAlgError: Eigenvalues did not converge
FAILED thermoanalysis/tests/test_thermochemistry.py::test_irc_logs[84-0.62876245] - numpy.linalg.LinAlgError: Eigenvalues did not converge
FAILED thermoanalysis/tests/test_thermochemistry.py::test_print_thermo_results - numpy.linalg.LinAlgError: Eigenvalues did not converge
FAILED thermoanalysis/tests/test_thermochemistry.py::test_anthracene[03_anthracene_freq.log] - numpy.linalg.LinAlgError: Eigenvalues did not converge
FAILED thermoanalysis/tests/test_thermochemistry.py::test_anthracene[03_anthracene_freq.hess] - numpy.linalg.LinAlgError: Eigenvalues did not converge
ERROR thermoanalysis/tests/test_part_funcs.py::test_el_part_func - numpy.linalg.LinAlgError: Eigenvalues did not converge
ERROR thermoanalysis/tests/test_part_funcs.py::test_trans_part_func - numpy.linalg.LinAlgError: Eigenvalues did not converge
ERROR thermoanalysis/tests/test_part_funcs.py::test_rot_part_func - numpy.linalg.LinAlgError: Eigenvalues did not converge
ERROR thermoanalysis/tests/test_part_funcs.py::test_vib_part_func - numpy.linalg.LinAlgError: Eigenvalues did not converge
ERROR thermoanalysis/tests/test_part_funcs.py::test_vib_part_func_V0 - numpy.linalg.LinAlgError: Eigenvalues did not converge
ERROR thermoanalysis/tests/test_part_funcs.py::test_xtb_rot_part_func - numpy.linalg.LinAlgError: Eigenvalues did not converge
ERROR thermoanalysis/tests/test_part_funcs.py::test_xtb_vib_V0_part_func - numpy.linalg.LinAlgError: Eigenvalues did not converge
========================================================================= 14 failed, 3 passed, 19 warnings, 7 errors in 1.34s ========