test_project_modes_consistent_with_mp_get_Q_get_P fails
Hello. While building version 2.4 on a system running Debian unstable, I got this test failure:
```
=================================== FAILURES ===================================
______________ test_project_modes_consistent_with_mp_get_Q_get_P _______________
mp = ### ModeProjector ###
Supercell:
Number of atoms: 32
Volume: 531.441
Number of unit cells: 32
Cell:...+++++++++--++-++++++++++-+-++++++++++-
|-0.00 THz 7.99|
tmp_dir = '/tmp/tmphldo41nt'
def test_project_modes_consistent_with_mp_get_Q_get_P(mp, tmp_dir):
"""project_modes and mp.get_Q/get_P should give the same result
for the same snapshot."""
rng = np.random.default_rng(0)
N = len(mp.supercell.to_ase())
u = rng.normal(scale=0.01, size=(N, 3))
v = rng.normal(scale=1.0, size=(N, 3))
snapshots = []
for _ in range(5):
atoms = mp.supercell.to_ase().copy()
atoms.positions += u
atoms.set_array('vel', v)
snapshots.append(atoms)
fname = _write_traj(tmp_dir, snapshots, name='traj_consistency.extxyz')
Q_pm, P_pm = project_modes(_traj(fname), mp.eigenmodes, mp.supercell.to_ase())
mp.set_u(u)
mp.set_v(v)
Q_mp = mp.get_Q()
P_mp = mp.get_P()
> assert np.allclose(Q_pm[0], Q_mp, atol=1e-10), "Q mismatch between project_modes and mp.get_Q"
E AssertionError: Q mismatch between project_modes and mp.get_Q
E assert False
E + where False = <function allclose at 0x7fcbd2f52970>(array([[-0.28824717+0.00000000e+00j, 0.26748221+0.00000000e+00j,\n -1.07495387+0.00000000e+00j],\n [-1.551...2866003e-01j],\n [ 0.37079855+5.61717159e-02j, -0.15962546-1.55641447e-01j,\n 0.17133716-2.31369548e-01j]]), array([[-0.28824731+0.00000000e+00j, 0.26748249+0.00000000e+00j,\n -1.07495397+0.00000000e+00j],\n [-1.551...2866069e-01j],\n [ 0.37079854+5.61717144e-02j, -0.15962531-1.55641447e-01j,\n 0.17133722-2.31369420e-01j]]), atol=1e-10)
E + where <function allclose at 0x7fcbd2f52970> = np.allclose
tests/modes/test_project_modes.py:169: AssertionError
----------------------------- Captured stdout call -----------------------------
INFO 2026-08-06 13:15:56: Assuming the trajectory has the default length unit (Ångström), since no unit was specified.
INFO 2026-08-06 13:15:56: Assuming the trajectory has the default time unit (fs), since no unit was specified.
INFO 2026-08-06 13:15:59: Trajectory file: /tmp/tmphldo41nt/traj_consistency.extxyz
INFO 2026-08-06 13:15:59: Total number of particles: 32
INFO 2026-08-06 13:15:59: Number of atom types: 1
INFO 2026-08-06 13:15:59: Number of atoms of type X: 32
INFO 2026-08-06 13:15:59: Simulation cell (in Angstrom):
[[8.1 0. 0. ]
[0. 8.1 0. ]
[0. 0. 8.1]]
INFO 2026-08-06 13:15:59: Running mode projection
INFO 2026-08-06 13:15:59: Reading frame 0
------------------------------ Captured log call -------------------------------
INFO dynasor:abstract_trajectory_reader.py:44 Assuming the trajectory has the default length unit (Ångström), since no unit was specified.
INFO dynasor:abstract_trajectory_reader.py:52 Assuming the trajectory has the default time unit (fs), since no unit was specified.
INFO dynasor:trajectory.py:161 Trajectory file: /tmp/tmphldo41nt/traj_consistency.extxyz
INFO dynasor:trajectory.py:162 Total number of particles: 32
INFO dynasor:trajectory.py:163 Number of atom types: 1
INFO dynasor:trajectory.py:165 Number of atoms of type X: 32
INFO dynasor:trajectory.py:166 Simulation cell (in Angstrom):
[[8.1 0. 0. ]
[0. 8.1 0. ]
[0. 0. 8.1]]
INFO dynasor:project_modes.py:46 Running mode projection
INFO dynasor:project_modes.py:65 Reading frame 0
=========================== short test summary info ============================
FAILED tests/modes/test_project_modes.py::test_project_modes_consistent_with_mp_get_Q_get_P
```
I have no idea why this happens, so for Debian I will temporarily mark the test as flaky.
Thanks.
issue
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