Merge pull request #144 from libAtoms/108-JOSS-submission-freiburg #566
This check has been archived and is scheduled for deletion.
Learn more about checks retention
GitHub Actions / JUnit Test Report
failed
Jun 23, 2023 in 0s
617 tests run, 31 skipped, 2 failed.
Annotations
Check failure on line 1 in TestEAMIO
github-actions / JUnit Test Report
TestEAMIO.test_savetbl_loadtbl_text
AttributeError: module 'numpy' has no attribute 'float'.
`np.float` was a deprecated alias for the builtin `float`. To avoid this error in existing code, use `float` by itself. Doing this will not modify any behavior and is safe. If you specifically wanted the numpy scalar type, use `np.float64` here.
The aliases was originally deprecated in NumPy 1.20; for more details and guidance see the original release note at:
https://numpy.org/devdocs/release/1.20.0-notes.html#deprecations
Raw output
self = <test_io.TestEAMIO testMethod=test_savetbl_loadtbl_text>
def test_savetbl_loadtbl_text(self):
n = 12
a = np.random.random(n)
b = np.random.random(n)
t = ['a'*(i+1) for i in range(n)]
savetbl('test2.out', a=a, b=b, t=t)
> a2, t2, b2 = loadtbl('test2.out', usecols=['a', 't', 'b'], types={'t': np.str_})
test_io.py:78:
_ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _
/usr/local/lib/python3.10/dist-packages/matscipy-0.7.0+308.ge9b94fb-py3.10-linux-x86_64.egg/matscipy/io/tbl.py:123: in <genexpr>
dtype=types[s] if s in types else np.float,
_ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _
attr = 'float'
def __getattr__(attr):
# Warn for expired attributes, and return a dummy function
# that always raises an exception.
import warnings
import math
try:
msg = __expired_functions__[attr]
except KeyError:
pass
else:
warnings.warn(msg, DeprecationWarning, stacklevel=2)
def _expired(*args, **kwds):
raise RuntimeError(msg)
return _expired
# Emit warnings for deprecated attributes
try:
val, msg = __deprecated_attrs__[attr]
except KeyError:
pass
else:
warnings.warn(msg, DeprecationWarning, stacklevel=2)
return val
if attr in __future_scalars__:
# And future warnings for those that will change, but also give
# the AttributeError
warnings.warn(
f"In the future `np.{attr}` will be defined as the "
"corresponding NumPy scalar.", FutureWarning, stacklevel=2)
if attr in __former_attrs__:
> raise AttributeError(__former_attrs__[attr])
E AttributeError: module 'numpy' has no attribute 'float'.
E `np.float` was a deprecated alias for the builtin `float`. To avoid this error in existing code, use `float` by itself. Doing this will not modify any behavior and is safe. If you specifically wanted the numpy scalar type, use `np.float64` here.
E The aliases was originally deprecated in NumPy 1.20; for more details and guidance see the original release note at:
E https://numpy.org/devdocs/release/1.20.0-notes.html#deprecations
/usr/local/lib/python3.10/dist-packages/numpy/__init__.py:313: AttributeError
Check failure on line 1 in TestNeighbourhood
github-actions / JUnit Test Report
TestNeighbourhood.test_triplets
AssertionError: False is not true
Raw output
self = <test_neighbours.TestNeighbourhood testMethod=test_triplets>
def test_triplets(self):
cutoff_pairs = np.array(self.cutoff.get_pairs(self.atoms, "ij")).T
molecules_pairs = np.array(self.molecule.get_pairs(self.atoms, "ij")).T
cutoff_d = self.cutoff.get_triplets(self.atoms, "ijk")
molecule_d = self.molecule.get_triplets(self.atoms, "ijk")
p = np.array([0, 1, 3, 2, 4, 5])
# We compare the refered pairs, not the triplet info directly
for c, m in zip(cutoff_d, molecule_d):
# print("c =", cutoff_pairs[:][c])
# print("m =", molecules_pairs[:][m])
self.assertArrayAlmostEqual(cutoff_pairs[:, 0][c],
molecules_pairs[:, 0][m][p], tol=1e-10)
> self.assertArrayAlmostEqual(cutoff_pairs[:, 1][c],
molecules_pairs[:, 1][m][p], tol=1e-10)
test_neighbours.py:372:
_ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _
matscipytest.py:107: in assertArrayAlmostEqual
self.assertTrue((a == b).all())
E AssertionError: False is not true
Loading