[ase-users] ASE test error after installation

[Qunfei Zhou]

Dear All,


I have installed ASE successfully, but got errors below when run ase test

******************************************************

ERROR: doctests.py
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/home/qzt3192/.local/lib/python2.7/site-packages/ase/test/__init__.py", line 50, in testfile
    exec(compile(fd.read(), self.filename, 'exec'), {})
  File "/home/qzt3192/.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/qzt3192/python/lib/python2.7/doctest.py", line 1911, in testmod
    runner.run(test)
  File "/home/qzt3192/python/lib/python2.7/doctest.py", line 1799, in run
    r = DocTestRunner.run(self, test, compileflags, out, False)
  File "/home/qzt3192/python/lib/python2.7/doctest.py", line 1454, in run
    return self.__run(test, compileflags, out)
  File "/home/qzt3192/python/lib/python2.7/doctest.py", line 1363, in __run
    self.report_failure(out, test, example, got)
  File "/home/qzt3192/python/lib/python2.7/doctest.py", line 1808, in report_failure
    raise DocTestFailure(test, example, got)
DocTestFailure: <DocTest ase.spacegroup.spacegroup.Spacegroup from /home/qzt3192/.local/lib/python2.7/site-packages/ase/spacegroup/spacegroup.py:49 (6 examples)>

----------------------------------------------------------------------
Ran 220 tests in 243.179s

FAILED (errors=1, skipped=62)
******************************************************?
And I did:
$ python -m doctest -v spacegroup.py
and got the errors:
Trying:
    from ase.spacegroup import Spacegroup
Expecting nothing
ok
Trying:
    sg = Spacegroup(225)
Expecting nothing
ok
Trying:
    print('Space group', sg.no, sg.symbol)
Expecting:
    Space group 225 F m -3 m
ok
Trying:
    sg.scaled_primitive_cell
Expecting:
    array([[ 0. ,  0.5,  0.5],
           [ 0.5,  0. ,  0.5],
           [ 0.5,  0.5,  0. ]])
**********************************************************************
File "/home/qzt3192/.local/lib/python3.4/site-packages/ase/spacegroup/spacegroup.py", line 62, in spacegroup.Spacegroup
Failed example:
    sg.scaled_primitive_cell
Expected:
    array([[ 0. ,  0.5,  0.5],
           [ 0.5,  0. ,  0.5],
           [ 0.5,  0.5,  0. ]])
Got:
    array([[0. , 0.5, 0.5],
           [0.5, 0. , 0.5],
           [0.5, 0.5, 0. ]])

File "/home/qzt3192/.local/lib/python3.4/site-packages/ase/spacegroup/spacegroup.py", line 67, in spacegroup.Spacegroup
Failed example:
    sites
Expected:
    array([[ 0. ,  0. ,  0. ],
           [ 0. ,  0.5,  0.5],
           [ 0.5,  0. ,  0.5],
           [ 0.5,  0.5,  0. ]])
Got:
    array([[0. , 0. , 0. ],
           [0. , 0.5, 0.5],
           [0.5, 0. , 0.5],
           [0.5, 0.5, 0. ]])
******************************************************?
.....and some other examples of the same kind.

I have tried Python 2 with the same problem. Can anyone help me with this error?

Thank you very much.

Best Regards,
Fei






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