[ase-users] Test Error

[Jens Jørgen Mortensen]

Den 26-02-2018 kl. 19:59 skrev Simon Lutz Batzner via ase-users:
> 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 for your feedback.  See this thread:

https://listserv.fysik.dtu.dk/pipermail/ase-users/2018-February/004209.html

Jens Jørgen

>
> 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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