[ase-users] windows 10 installation error message

[Jens Jørgen Mortensen]

Den 08-06-2016 kl. 16:04 skrev Leu Zhe via ase-users:
>
> Hi, I tried to install and test the ase package on Window 10.
>
> I got the following error message:
>

Thanks.  I think I have fixed the second error in the latest master 
branch.  About the first error:  Could you try to start your Python 
interpreter and type the example from the docstring of the 
ase.geometry.geometry.get_layers() function:

 >>> import numpy as np
 >>> from ase.spacegroup import crystal
 >>> atoms = crystal('Al', [(0,0,0)], spacegroup=225, cellpar=4.05)
 >>> np.round(atoms.positions, decimals=5)
array([[ 0.   ,  0.   ,  0.   ],
        [ 0.   ,  2.025,  2.025],
        [ 2.025,  0.   ,  2.025],
        [ 2.025,  2.025,  0.   ]])
 >>> get_layers(atoms, (0,0,1))
(array([0, 1, 1, 0]), array([ 0.   ,  2.025]))

What do you get?

Jens Jørgen

> ======================================================================
>
> ERROR: 
> C:\Users\lzhes\AppData\Roaming\Python\Python35\site-packages\ase\test\doctests.py
>
> ----------------------------------------------------------------------
>
> Traceback (most recent call last):
>
>   File 
> "C:\Users\lzhes\AppData\Roaming\Python\Python35\site-packages\ase\test\__init__.py", 
> line 53, in testfile
>
>     {'display': self.display})
>
>   File 
> "C:\Users\lzhes\AppData\Roaming\Python\Python35\site-packages\ase\test\doctests.py", 
> line 25, in <module>
>
>     print(mod, doctest.testmod(mod, raise_on_error=True))
>
>   File "C:\Python35\lib\doctest.py", line 1941, in testmod
>
>     runner.run(test)
>
>   File "C:\Python35\lib\doctest.py", line 1829, in run
>
>     r = DocTestRunner.run(self, test, compileflags, out, False)
>
>   File "C:\Python35\lib\doctest.py", line 1466, in run
>
>     return self.__run(test, compileflags, out)
>
>   File "C:\Python35\lib\doctest.py", line 1367, in __run
>
> self.report_failure(out, test, example, got)
>
>   File "C:\Python35\lib\doctest.py", line 1838, in report_failure
>
>     raise DocTestFailure(test, example, got)
>
> doctest.DocTestFailure: <DocTest ase.geometry.geometry.get_layers from 
> C:\Users\lzhes\AppData\Roaming\Python\Python35\site-packages\ase\geometry\geometry.py:69 
> (5 examples)>
>
> ======================================================================
>
> ERROR: 
> C:\Users\lzhes\AppData\Roaming\Python\Python35\site-packages\ase\test\fio\oldtraj.py
>
> ----------------------------------------------------------------------
>
> Traceback (most recent call last):
>
>   File 
> "C:\Users\lzhes\AppData\Roaming\Python\Python35\site-packages\ase\test\__init__.py", 
> line 53, in testfile
>
>     {'display': self.display})
>
>   File 
> "C:\Users\lzhes\AppData\Roaming\Python\Python35\site-packages\ase\test\fio\oldtraj.py", 
> line 17, in <module>
>
>     convert('hmm.traj')
>
>   File 
> "C:\Users\lzhes\AppData\Roaming\Python\Python35\site-packages\ase\io\trajectory.py", 
> line 343, in convert
>
>     os.rename(name + '.new', name)
>
> PermissionError: [WinError 32] プロセスはファイルにアクセスできませ 
> ん。別のプロセスが使用中です。: 'hmm.traj.new' -> 'hmm.traj'
>
> ----------------------------------------------------------------------
>
> Windows 10 版のメール <https://go.microsoft.com/fwlink/?LinkId=550986> 
> か ら送信
>
>
>
> _______________________________________________
> 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/20160609/d21e0263/attachment.html>