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

[Jens Jørgen Mortensen]

Den 23-02-2018 kl. 17:54 skrev Alex Buccheri via ase-users:
>
> Dear ASE users/developers,
>
> “ase test” fails on my machine. Would you be able to advise on what’s 
> failing?
>

Thanks for your feedback.  See this thread:

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

Jens Jørgen

> Kind Regards,
>
> Alex Buccheri
>
> Detail are as follows:
>
> ASE installed using pip. Mac OS High Sierra. V 10.13.3
>
> ase test
>
> platformDarwin-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)
>
>
>
> _______________________________________________
> ase-users mailing list
> ase-users at listserv.fysik.dtu.dk
> https://listserv.fysik.dtu.dk/mailman/listinfo/ase-users

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://listserv.fysik.dtu.dk/pipermail/ase-users/attachments/20180226/f8461b7e/attachment-0001.html>