[Ifeffit] Scripting - Python

Andrew Korinda a-korinda at northwestern.edu
Thu Jul 14 09:58:43 CDT 2011


Thanks Matt. That new binary was a great help. The install appears to
have gone fine. I made the appropriate path changes in
use_ifeffit.bat, ifeffit_config.py and ifeffit.py to reflect where I
have installed Ifeffit. I noticed this when I was trying to debug an
import error I get when I call ifeffit but this didn't solve the
problem. The error I am getting is: ('failed to load ifeffit library
', 'C:\\Program Files (x86)\\Ifeffit\\bin\\ifeffit_12.dll') which is
fatal. It's from line 125 of ifeffit.py. I've double check and the dll
is there so I'm not sure why it is failing.

I saw Joel.Brugger had the same issue on his Mac but I didn't see an
email about that being resolved. Matt or anyone have another
suggestion where I can look to debug this?

Andy K.

On Wed, Jul 13, 2011 at 2:53 PM, Matt Newville
<newville at cars.uchicago.edu> wrote:
> Hi Andrew,
>
> Sorry for not keeping these more up-to-date.  I posted windows
> installers for Python 2.6 and Python 2.7 (sorry, no Python 3 support
> yet) at
>   http://cars.uchicago.edu/~ifeffit/src/PythonWrapper/
>
> I'll update the links on the wiki.
>
> Note that to use these well (especially for plotting fonts and colors
> to work), you may have to run C:\Program
> Files\Ifeffit\bin\use_ifeffit.bat, or otherwise set the environmental
> variables given in that file.
>
> Cheers,
>
> --Matt
>
>
> On Wed, Jul 13, 2011 at 10:41 AM, Andrew Korinda
> <a-korinda at northwestern.edu> wrote:
>> After a reprieve from XAS work, I'm back at it with a new laptop. In
>> rebuilding the Ifeffit python package I realized I did not properly
>> compile all the instructions which would explain why I wasn't getting
>> things to return to the python shell such as echo messages. I am
>> currently trying to properly install the Ifeffit wrapper from within
>> ifeffit-1.2.11c.tar.gz onto Windows 7 and Python 2.7.2. Of course this
>> has required some tweaks but when I get to "gcc.exe -mno-cygwin
>> -shared -s build" the install crashes. I believe this has to do with
>> site_install.py being writing for redhat and I'm not sure how to
>> modify the directories for windows.
>>
>> Is there a way around this? I realize I could go back and install
>> Python 2.5 and run Ifeffit-1.2.win32-py2.5.exe but that does mean
>> going back and reinstalling every package (numpy, scipy, matplotlib,
>> etc.) Is there maybe a way to rework Ifeffit-1.2.win32-py2.5.exe so it
>> can be used on a machine with Python 2.7.2?
>>
>> Andy Korinda
>>
>> On Mon, Nov 8, 2010 at 12:36 AM, Andrew Korinda
>> <a-korinda at northwestern.edu> wrote:
>>> Thanks for the help. Sorry it took so long to report back but I can only do
>>> must of my work on this on weekends. The corrected code worked great and I'm
>>> moving forward again. No message was given when the code wasn't working.
>>>
>>> Andy Korinda
>>>
>>> On Nov 1, 2010 1:55 PM, "Matt Newville" <newville at cars.uchicago.edu> wrote:
>>>
>>> Hi Andrew,
>>>
>>> On Mon, Nov 1, 2010 at 12:01 PM, Andrew Korinda
>>> <a-korinda at northwestern.edu> wrote:
>>>> I'm looking t...
>>>
>>> This is almost certainly due to space in the filename, and is really
>>> more of a problem with the fortran than python (or perl for that
>>> matter).  That is, with a space in the file name, you should
>>> explicitly use
>>>    read_data(file=...., group=...)
>>>
>>> This should work better::
>>>    import Ifeffit
>>>    iff = Ifeffit.Ifeffit()
>>>
>>>    ret = iff.ifeffit("read_data(file=C:\Program
>>> Files\Ifeffit\examples\Ifeffit\data\cu.xmu, group=c)")
>>>
>>> If it doesn't, let use know.
>>>
>>>> >From this experience I have some questions:
>>>>
>>>> ~First does anyone have some debugging tips for ...
>>>
>>> There should have been a printed message that might have altered you
>>> that the file hadn't been read in correctly:
>>>   *** read_data: no file name given!
>>>
>>> was that message not given?
>>>
>>>> ~Secondly, Does anyone have any example Python scripts for Ifeffit
>>>> that they would like to shar...
>>>
>>> I sort of deliberately have left the base Ifeffit python module
>>> bare-bones.  It would certainly be possible to add more functionality
>>> to that, or distribute add-on packages.  It sort of depends what
>>> people would find desirable.
>>>
>>> I have many example scripts using Ifeffit + Python, mostly scripts,
>>> not documented, reliable code.  Of course, there is also sixpack.  I
>>> had some older GUIs as well.  Would it be helpful to add some small
>>> examples on a wiki page?
>>>
>>>> ~Finally, would I be better off coding in Perl and using Demeter?
>>>
>>> That's a difficult question.  The relative merits of Perl v Python are
>>> sort of a topic all on their own.  For what it's worth, I believe
>>> (far) more people have used Python than Perl, but several very notable
>>> Ifeffit programs are written in Perl ;).
>>>
>>> --Matt
>>>
>>> PS: The next version of Ifeffit will be in python.   Progress is slow,
>>> and when it will start to look like an EXAFS analysis program is a
>>> fair question.  It probably shouldn't sway your decision much.
>>>
>>> _______________________________________________
>>> Ifeffit mailing list
>>> Ifeffit at millenia.cars.aps.anl.g...
>>
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