[ase-users] Test Error

[Simon Lutz Batzner]

Hi,

I have installed ASE using pip and I keep getting the error shown below. I have removed earlier versions of ASE and installed it again, the error still comes up.

Any help would be very much appreciated.

Thanks,
Simon


ase-3.15.0      /home/username/.local/lib/python2.7/site-packages/ase/
numpy-1.14.1    /home/username/.local/lib/python2.7/site-packages/numpy/
scipy-1.0.0     /home/username/anaconda3/envs/py2/lib/python2.7/site-packages/scipy/
test-dir        /tmp/ase-test-AXd9_z

............................s.....E.................ss............s......s..............s..................s.sss.....s.....ssssssssss......s....ssssss..ss..s/home/username/.local/lib/python2.7/site-packages/ase/io/dmol.py:78: FutureWarning: `rcond` parameter will change to the default of machine precision times ``max(M, N)`` where M and N are the input matrix dimensions.
To use the future default and silence this warning we advise to pass `rcond=None`, to keep using the old, explicitly pass `rcond=-1`.
  lstsq_fit = np.linalg.lstsq(atoms.cell, new_cell)
/home/username/.local/lib/python2.7/site-packages/ase/calculators/dmol.py:528: FutureWarning: `rcond` parameter will change to the default of machine precision times ``max(M, N)`` where M and N are the input matrix dimensions.
To use the future default and silence this warning we advise to pass `rcond=None`, to keep using the old, explicitly pass `rcond=-1`.
  lstsq_fit = np.linalg.lstsq(A, B)
/home/username/.local/lib/python2.7/site-packages/ase/io/dmol.py:226: FutureWarning: `rcond` parameter will change to the default of machine precision times ``max(M, N)`` where M and N are the input matrix dimensions.
To use the future default and silence this warning we advise to pass `rcond=None`, to keep using the old, explicitly pass `rcond=-1`.
  lstsq_fit = np.linalg.lstsq(atoms.cell, new_cell)
......ss............s............sssss..s.ssss.ssssssssssssssss
======================================================================
ERROR: doctests.py
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/home/username/.local/lib/python2.7/site-packages/ase/test/__init__.py", line 50, in testfile
    exec(compile(fd.read(), self.filename, 'exec'), {})
  File "/home/username/.local/lib/python2.7/site-packages/ase/test/doctests.py", line 26, in <module>
    print(mod, doctest.testmod(mod, raise_on_error=True))
  File "/home/username/anaconda3/envs/py2/lib/python2.7/doctest.py", line 1911, in testmod
    runner.run(test)
  File "/home/username/anaconda3/envs/py2/lib/python2.7/doctest.py", line 1799, in run
    r = DocTestRunner.run(self, test, compileflags, out, False)
  File "/home/username/anaconda3/envs/py2/lib/python2.7/doctest.py", line 1454, in run
    return self.__run(test, compileflags, out)
  File "/home/username/anaconda3/envs/py2/lib/python2.7/doctest.py", line 1363, in __run
    self.report_failure(out, test, example, got)
  File "/home/username/anaconda3/envs/py2/lib/python2.7/doctest.py", line 1808, in report_failure
    raise DocTestFailure(test, example, got)
DocTestFailure: <DocTest ase.spacegroup.spacegroup.Spacegroup from /home/username/.local/lib/python2.7/site-packages/ase/spacegroup/spacegroup.py:49 (6 examples)>

----------------------------------------------------------------------
Ran 220 tests in 132.638s

FAILED (errors=1, skipped=60)

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