Source: phonopy
Version: 2.12.0-1
Severity: serious
https://ci.debian.net/data/autopkgtest/testing/amd64/p/phonopy/16901578/log.gz
...
=================================== FAILURES ===================================
_________________________________ test_QHA_Si __________________________________
self = <phonopy.qha.eos.EOSFit object at 0x7feba99a84c0>
initial_parameters = [-43.375124, 1.0, 4.0, 163.32]
def fit(self, initial_parameters):
"""Fit."""
import logging
import sys
import warnings
try:
> import scipy
E ModuleNotFoundError: No module named 'scipy'
/usr/lib/python3/dist-packages/phonopy/qha/eos.py:133: ModuleNotFoundError
During handling of the above exception, another exception occurred:
def test_QHA_Si():
"""Test of QHA calculation by Si."""
indices = list(range(11))
> phonopy_qha = PhonopyQHA(
volumes=ev_vs_v[indices, 0],
electronic_energies=ev_vs_v[indices, 1],
eos="vinet",
temperatures=temperatures,
free_energy=fe_phonon[:, indices],
cv=cv[:, indices],
entropy=entropy[:, indices],
t_max=1000,
verbose=True,
)
test/qha/test_QHA.py:154:
_ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _
/usr/lib/python3/dist-packages/phonopy/api_qha.py:105: in __init__
self._bulk_modulus = BulkModulus(volumes, electronic_energies, eos=eos)
/usr/lib/python3/dist-packages/phonopy/qha/core.py:82: in __init__
) = fit_to_eos(volumes, self._energies, self._eos)
/usr/lib/python3/dist-packages/phonopy/qha/eos.py:101: in fit_to_eos
fit.fit([fe[len(fe) // 2], 1.0, 4.0, volumes[len(volumes) // 2]])
_ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _
self = <phonopy.qha.eos.EOSFit object at 0x7feba99a84c0>
initial_parameters = [-43.375124, 1.0, 4.0, 163.32]
def fit(self, initial_parameters):
"""Fit."""
import logging
import sys
import warnings
try:
import scipy
from scipy.optimize import leastsq
except ImportError:
print("You need to install python-scipy.")
> sys.exit(1)
E SystemExit: 1
/usr/lib/python3/dist-packages/phonopy/qha/eos.py:137: SystemExit
----------------------------- Captured stdout call -----------------------------
You need to install python-scipy.
=========================== short test summary info ============================
FAILED test/qha/test_QHA.py::test_QHA_Si - SystemExit: 1
============= 1 failed, 138 passed, 1 skipped in 62.19s (0:01:02) ==============
autopkgtest [15:31:27]: test command1: -----------------------]
autopkgtest [15:31:27]: test command1: - - - - - - - - - - results - - - - - -
- - - -
python3-scipy is a !nocheck build dependency.
