[ase-users] ase test fails. High Sierra.

[Alex Buccheri]

Dear ASE users/developers,



“ase test” fails on my machine. Would you be able to advise on what’s failing?



Kind Regards,

Alex Buccheri





Detail are as follows:

ASE installed using pip. Mac OS High Sierra. V 10.13.3



ase test

platform        Darwin-17.4.0-x86_64-i386-64bit

python-3.6.4    /Library/Frameworks/Python.framework/Versions/3.6/bin/python3.6

ase-3.15.0      /Library/Frameworks/Python.framework/Versions/3.6/lib/python3.6/site-packages/ase/

numpy-1.14.0    /Library/Frameworks/Python.framework/Versions/3.6/lib/python3.6/site-packages/numpy/

scipy-1.0.0     /Library/Frameworks/Python.framework/Versions/3.6/lib/python3.6/site-packages/scipy/

test-dir        /var/folders/j6/1rklfj550k70srfh3x1l2p5c0000gp/T/ase-test-2bb9_r_j



............................s.....E.................ss............s......s..............s..................s.sss.....s.....ssssssssss......s....ssssss..ss.../Library/Frameworks/Python.framework/Versions/3.6/lib/python3.6/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)

/Library/Frameworks/Python.framework/Versions/3.6/lib/python3.6/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)

/Library/Frameworks/Python.framework/Versions/3.6/lib/python3.6/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 "/Library/Frameworks/Python.framework/Versions/3.6/lib/python3.6/site-packages/ase/test/__init__.py", line 50, in testfile

    exec(compile(fd.read(), self.filename, 'exec'), {})

  File "/Library/Frameworks/Python.framework/Versions/3.6/lib/python3.6/site-packages/ase/test/doctests.py", line 26, in <module>

    print(mod, doctest.testmod(mod, raise_on_error=True))

  File "/Library/Frameworks/Python.framework/Versions/3.6/lib/python3.6/doctest.py", line 1951, in testmod

    runner.run(test)

  File "/Library/Frameworks/Python.framework/Versions/3.6/lib/python3.6/doctest.py", line 1839, in run

    r = DocTestRunner.run(self, test, compileflags, out, False)

  File "/Library/Frameworks/Python.framework/Versions/3.6/lib/python3.6/doctest.py", line 1476, in run

    return self.__run(test, compileflags, out)

  File "/Library/Frameworks/Python.framework/Versions/3.6/lib/python3.6/doctest.py", line 1377, in __run

    self.report_failure(out, test, example, got)

  File "/Library/Frameworks/Python.framework/Versions/3.6/lib/python3.6/doctest.py", line 1848, in report_failure

    raise DocTestFailure(test, example, got)

doctest.DocTestFailure: <DocTest ase.spacegroup.spacegroup.Spacegroup from /Library/Frameworks/Python.framework/Versions/3.6/lib/python3.6/site-packages/ase/spacegroup/spacegroup.py:49 (6 examples)>



----------------------------------------------------------------------

Ran 220 tests in 125.343s



FAILED (errors=1, skipped=59)



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