[ase-users] Error in test after Installation.

[Mohammed Ghadiyali]

Thanks for the reply,

I have used the dnf package (i.e sudo dnf intall python-ase) hence I am not sure of the version, but It should be latest

And I the command tried it got the error below

**********************************************************************
File "/usr/lib/python2.7/site-packages/ase/build/tools.py", line 248, in tools.stack
Failed example:
    interface2 = stack(ag110, si110,
                       maxstrain=1, distance=2.3)   # doctest:+ELLIPSIS
Exception raised:
    Traceback (most recent call last):
      File "/usr/lib64/python2.7/doctest.py", line 1315, in __run
        compileflags, 1) in test.globs
      File "<doctest tools.stack[10]>", line 2, in <module>
        maxstrain=1, distance=2.3)   # doctest:+ELLIPSIS
      File "/usr/lib/python2.7/site-packages/ase/build/tools.py", line 291, in stack
        from scipy.optimize import fmin
    ImportError: No module named scipy.optimize
**********************************************************************
1 items had failures:
   1 of  10 in tools.stack
***Test Failed*** 1 failures.

Thanks again.




________________________________
From: Jens Jørgen Mortensen <jensj at fysik.dtu.dk>
Sent: Friday, October 21, 2016 1:00 PM
To: Mohammed Ghadiyali; ase-users at listserv.fysik.dtu.dk
Subject: Re: [ase-users] Error in test after Installation.

On 10/20/2016 11:59 AM, Mohammed Ghadiyali via ase-users wrote:
>
> Dear ALL,
>
>
> I have installed ASE via dnf and it has been installed sucessfully.
> But after running the recommended test I have got following error:
>
>
> ======================================================================
> ERROR: doctests.py
> ----------------------------------------------------------------------
> Traceback (most recent call last):
>   File "/usr/lib/python2.7/site-packages/ase/test/__init__.py", line
> 53, in testfile
>     {'display': self.display})
>   File "/usr/lib/python2.7/site-packages/ase/test/doctests.py", line
> 25, in <module>
>     print(mod, doctest.testmod(mod, raise_on_error=True))
>   File "/usr/lib64/python2.7/doctest.py", line 1911, in testmod
>     runner.run(test)
>   File "/usr/lib64/python2.7/doctest.py", line 1799, in run
>     r = DocTestRunner.run(self, test, compileflags, out, False)
>   File "/usr/lib64/python2.7/doctest.py", line 1454, in run
>     return self.__run(test, compileflags, out)
>   File "/usr/lib64/python2.7/doctest.py", line 1368, in __run
>     exc_info)
>   File "/usr/lib64/python2.7/doctest.py", line 1805, in
> report_unexpected_exception
>     raise UnexpectedException(test, example, exc_info)
> UnexpectedException: <DocTest ase.build.tools.stack from
> /usr/lib/python2.7/site-packages/ase/build/tools.py:192 (12 examples)>
>
> ----------------------------------------------------------------------
> Ran 138 tests in 45.183s
>
> FAILED (errors=1)
>
>
> Is there any issue in the installation and if yes thank what would be
> the possible solution.

What version of ASE is this?  Can you try this:

     $ python -m doctest --verbose
/usr/lib/python2.7/site-packages/ase/build/tools.py

Jens Jørgen

>
> Regards.
> Ghadiyali Mohammed Kader.
>
>
>
> _______________________________________________
> ase-users mailing list
> ase-users at listserv.fysik.dtu.dk
> https://listserv.fysik.dtu.dk/mailman/listinfo/ase-users

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