[ase-users] windows 10 installation error message

[Leu Zhe]

Hi, Jens Jørgen,

I tried to update ase from pip, but it seems that you have not uploaded it
yet.
Could you please update it for pip?
Thanks!

On Thu, Jun 9, 2016 at 11:56 PM Jens Jørgen Mortensen <jensj at fysik.dtu.dk>
wrote:

> 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 listase-users at listserv.fysik.dtu.dkhttps://listserv.fysik.dtu.dk/mailman/listinfo/ase-users
>
>
>
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