[ase-users] cannot import name minpack2

[Marcin Dulak]

On 04/17/2013 06:38 PM, Bernd Hartke wrote:
> Dear Marcin,
>    many thanks for the quick reaction and the detailed help!
>>
>>
>> On 04/17/2013 10:49 AM, Bernd Hartke wrote:
>>> Dear ASE users,
>>> on an openSuSE-12.1 64bitlinux system, I have just installed 
>>> ASE3.6.0.2515-74.1 from the distro via zypper (as recommended on 
>>> https://wiki.fysik.dtu.dk/ase/download.html), after installing what 
>>> was missing from the prerequisites (as listed on the same page). I 
>>> did have some trouble in testing SciPy, but hoped that that may have 
>>> beencaused by my inability to installnose1.3.0 properly (for 
>>> testing)and that this did not affect SciPy itselfand that all this 
>>> maybe irrelevant anyway since ASE lists SciPy as recommended but not 
>>> necessary prerequisite.
>>>
>>> All ASE tests run fine except hcp.py, which complains about
>>>    ImportError: cannot import name minpack2
>>> I am appending the testase.log filebelow.
>>>
>>> Is this failure a direct outcome of an incorrectly/incompletely 
>>> installed SciPy, or is it something else?
>> Check your scipy installation with:
>> python -c "from scipy.optimize import minpack2"
>
> not surprisingly, this produces the same error message(s) as those 
> from testase.
>
>> I  would just install a python-scipy version from one of the*build*.*opensuse*.org repositories:
>>
>> yast --remove python-numpy
>>
>> zypper ar -fhttp://download.opensuse.org/repositories/devel:/languages:/python/openSUSE_12.1/devel:languages:python.repo
>> yast -i python-scipy python-matplotlib python-gtk
>>
>>
>>
>>    
>>
>>
>>
>>
>>
>
> I have followed all that, and I have also re-installed ASE.
> However, the outcome of that is not completely encouraging:
> Instead of only one test (hcp) failing, I now get two fails: hcp 
> (again, with the same sympton) and now also oi:
>
>> ======================================================================
>> ERROR: hcp.py (ScriptTestCase)
>> ----------------------------------------------------------------------
>> Traceback (most recent call last):
>>   File "/usr/lib/python2.7/site-packages/ase/test/__init__.py", line 
>> 54, in testfile
>>     execfile(self.filename, {'display': self.display})
>>   File "/usr/lib/python2.7/site-packages/ase/test/hcp.py", line 30, 
>> in <module>
>>     from scipy.optimize import fmin_bfgs
>>   File 
>> "/usr/local/lib64/python2.7/site-packages/scipy/optimize/__init__.py", line 
>> 146, in <module>
>>   File 
>> "/usr/local/lib64/python2.7/site-packages/scipy/optimize/optimize.py", line 
>> 34, in <module>
>>   File 
>> "/usr/local/lib64/python2.7/site-packages/scipy/optimize/linesearch.py", 
>> line 16, in <module>
>> ImportError: cannot import name minpack2
what do you get from:
rpm -q python numpy python-scipy
>>
>> ======================================================================
>> ERROR: oi.py (ScriptTestCase)
>> ----------------------------------------------------------------------
>> Traceback (most recent call last):
>>   File "/usr/lib/python2.7/site-packages/ase/test/__init__.py", line 
>> 54, in testfile
>>     execfile(self.filename, {'display': self.display})
>>   File "/usr/lib/python2.7/site-packages/ase/test/fio/oi.py", line 
>> 42, in <module>
>>     write(fname1, atoms, format=format)
>>   File "/usr/lib/python2.7/site-packages/ase/io/__init__.py", line 
>> 460, in write
>>     write(filename, images, **kwargs)
>>   File "/usr/lib/python2.7/site-packages/ase/io/png.py", line 40, in 
>> write_png
>>     PNG(atoms, **parameters).write(filename)
>>   File "/usr/lib/python2.7/site-packages/ase/io/eps.py", line 139, in 
>> write
>>     self.write_trailer()
>>   File "/usr/lib/python2.7/site-packages/ase/io/png.py", line 26, in 
>> write_trailer
>>     x = renderer._renderer.buffer_rgba(0, 0)
>> IndexError: Unexpected SeqBase<T> length.
>>
>> ----------------------------------------------------------------------
>> Ran 71 tests in 2780.733s
>>
>> FAILED (errors=2)
>
> My suspicion is that "yast --remove python-numpy" may have deleted 
> also other dependencies.
yes, it deletes some, but it would pop-up  a yst window to confirm that.
> Also, I am a bit worried about the curious mix of .../lib/... and 
> .../lib64/... in the above snippets, but maybe this only reflects my 
> lack of knowledge about python setups.
ase is a platform independent package so it goes under lib.
Compiled packages like numpy, scipy go under lib64 on x86_64 system.

Marcin
>
> Any ideas are welcome!
>
> Bernd
>


-- 
***********************************
  
Marcin Dulak
Technical University of Denmark
Department of Physics
Building 307, Room 229
DK-2800 Kongens Lyngby
Denmark
Tel.: (+45) 4525 3157
Fax.: (+45) 4593 2399
email: Marcin.Dulak at fysik.dtu.dk

***********************************

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