JiscMail Logo
Email discussion lists for the UK Education and Research communities

Help for CCPNMR Archives


CCPNMR Archives

CCPNMR Archives


CCPNMR@JISCMAIL.AC.UK


View:

Message:

[

First

|

Previous

|

Next

|

Last

]

By Topic:

[

First

|

Previous

|

Next

|

Last

]

By Author:

[

First

|

Previous

|

Next

|

Last

]

Font:

Proportional Font

LISTSERV Archives

LISTSERV Archives

CCPNMR Home

CCPNMR Home

CCPNMR  January 2013

CCPNMR January 2013

Options

Subscribe or Unsubscribe

Subscribe or Unsubscribe

Log In

Log In

Get Password

Get Password

Subject:

Re: CCPN and ARIA on windows

From:

Wayne Boucher <[log in to unmask]>

Reply-To:

CcpNmr software mailing list <[log in to unmask]>

Date:

Fri, 11 Jan 2013 23:25:30 +0000

Content-Type:

TEXT/PLAIN

Parts/Attachments:

Parts/Attachments

TEXT/PLAIN (195 lines)

Hmmm, I just looked at the Aria code and it seems there are quite a few 
Unix system commands being run, e.g. "csh", "cp", "rm" and "gzip". (There 
are pure Pythonic ways of doing cp, rm and gzip, so those should not be in 
there, and even the csh I'm not sure is needed.)

Has anyone ever gotten Aria 2.* to work on Windows???

Evidently one of the "cp" commands is being triggered when you click on 
that Analysis button (which calls the Aria setup function). I'm not an 
Aria expert so I'm not sure which of the occurrences of this is the likely 
culprit, but I suspect even if that one is fixed there would need to be 
some more serious surgery required.

Wayne

On Fri, 11 Jan 2013, McElroy, Craig wrote:

> Wayne,
>
> Thanks again for your response.
>
> Firstoff, just to be clear, I am not running Analysis through Cygwin... I am simply double clicking on the Analysis.exe icon. If I try and run it through Cygwin I get:
>
> 	Fatal Python error: PyEval_RestoreThread: NULL tstate
>
> 	This application has requested the Runtime to terminate it in an unusual way.
> 	Please contact the application's support team for more information.
>
> Rather, I have the ARIA and CNS environment variables set in Windows so that they get passed as system variables to the python shell that gets called when I double click on the Analysis.exe.
>
> I'm not sure what was causing the problems that I asked about before, but I was encountering other strange issues (like trying to import structures and getting a message that said something like "atoms will not be created if MatrixData exists"), so I reinstalled Analysis and now I don't get the previous error messages anymore.
>
> Now if I click on "Setup Project" in the CCPN-ARIA module it will copy the directory structure and toppar files etc to the proper location but then doesn't write the ARIA XML project file and says:
>
> 	'cp' is not recognized as an internal or external command, operable program or batch file.
> 	MESSAGE [Project]: Directory tree created.
> 	MESSAGE [Project]: Copying data files into local data-directory...
>
> 	Done.
>
> 	For running ARIA: aria2 None
>
> The message about 'cp' is the same message you get if you type 'cp' in a MS-DOS command shell, so I assume it's because I'm not running through a shell. Any idea on how I can get it to create the XML file.
>
> I would just set up the CCPN project and then run the ARIA gui from the Cygwin shell, but if I set up the project in CCPN and then start the gui from a command line I can import a CCPN project and the molecule etc  from the project, but for some reason when I try and import peak lists/spectra it tells me that there is no peak list or spectrum associated with the molecule, so I was hoping I could set up the aria project in CCPN, but that doesn't work either.
>
> Thanks again for all of your help... I appreciate it very much.
>
> Thanks
> Craig
>
> -----Original Message-----
> From: CcpNmr software mailing list [mailto:[log in to unmask]] On Behalf Of Wayne Boucher
> Sent: Thursday, January 10, 2013 10:46 AM
> To: [log in to unmask]
> Subject: Re: CCPN and ARIA on windows
>
> Hello,
>
> I'm glad the / \ issue is resolved.
>
> On the compatibility front, you should get the updates (Project --> Updates).  (In Windows you have to run the program as administrator but I don't know what cygwin would do for that.)  That should let you load new data.  (I assume you have some data created with SpecView or ChemBuild, otherwise I'm puzzled how this message was even triggered.)
>
> For the other issues, I can't see any sensible way they could be being triggered, which makes me wonder if running it through cygwin is causing the problem.  One way to diagnose the "not a modeled attribute" error a bit more is to go into the CCPN\ccpn\python\ccp\api\nmr\NmrCalc.py file and where it is complaining, at line 6652, you should see code like:
>
>         for key, value in attrlinks.iteritems():
>           try:
>             func = getattr(self.__class__, key).fset
>           except:
>             raise ApiError("%s: error setting %s - not a modeled attribute"
>                            % (self, key))
>
> You could change that to just:
>
>         for key, value in attrlinks.iteritems():
>           func = getattr(self.__class__, key).fset
>
> (the "f" in "func" should line up under the "r" in "for") and see what the error message is according to Python (rather than as CCPN is massaging it).  When key is "groupId" it is triggering the exception but it shouldn't be since "groupId" is an attribute.
>
> I couldn't trigger this exception on my Windows version, so it created a RunParameter with groupId as an attribute ok.
>
> Wayne
>
> On Wed, 9 Jan 2013, McElroy, Craig wrote:
>
>> Wayne,
>>
>> Thank you so much for the prompt reply. I know I'm probably crazy for trying this on a windows machine, but I don't have a linux box anymore, so windows 7 is my only option at the moment.
>>
>> So the problem from the aria side was an issue with the back slashes. On the command line for Cygwin it needs the \ before a space or other special character like a ( so I included them in the environment variable. However, it seems when that gets passed to python it gets misinterpreted. Once I fixed that to: setenv PYTHONPATH '/cygdrive/c/Program Files (x86)/CCPN/ccpn/python' it is being recognized and I can import the ccpnmr module. However, if I try and load a ccpn project in the aria gui I get an error:
>>
>> Could not import
>> Memops.format.compatability.downgrad.v_2_1_1
>> Forwards compatibility from 2.1.1 to 2.0.5 missing Trying to load
>> new-version data with old-version code?
>>
>> On the other side: The CCPN Data Model is version 2.0.5 and the _fieldNames does include 'groupId'.
>> I have the CNS environment variables defined in windows and there are no odd characters. I also discovered that even just moving the mouse over the region where you define the path for the CNS executable and aria calculations I get the error.
>>
>> Thanks for all your help in trying to trouble shoot this.
>>
>> Thanks
>> Craig
>>
>>
>> -----Original Message-----
>> From: CcpNmr software mailing list [mailto:[log in to unmask]] On
>> Behalf Of Wayne Boucher
>> Sent: Wednesday, January 09, 2013 1:25 PM
>> To: [log in to unmask]
>> Subject: Re: CCPN and ARIA on windows
>>
>> Hello,
>>
>> Windows, we love it.
>>
>> Both your variants of setting the PYTHONPATH look ok to me, although I don't know about / vs \ for paths in cygwin, nor how it copes with spaces in path names.  If you are able to run a python (I have a feeling we don't distribute that as is in Windows) command in some shell, after setting the PYTHONPATH, then can you try, at the Python prompt:
>>
>>>>> import ccpnmr
>>
>> That is what Aria tries to do in check.py.  Well, it does a bit more but that is the first thing it tries.  If that doesn't work then it is worth also doing:
>>
>>>>> import sys
>>>>> print sys.path
>>
>> And see if the correct CCPN python directory is indeed listed.
>>
>> That first error in the other direction, about groupId, is a puzzle.  So that is a modeled attribute in all the versions I've managed to check.  As it happens, it's about to be eliminated as an attribute but in theory nobody in the outside world should have seen that yet, which is worrying (!).  If you look at the top of:
>>
>> C:\Program Files (x86)\CCPN\ccpn\python\ccp\api\nmr\NmrCalc.py
>>
>> can you tell me what the CCPN Data Model version is?  It ought to be 2.0.5 if this is Analysis 2.2.2.  In any case, you should also check the class RunParameter in that file (search for "class RunParameter" starting at the first column).  Just below that there is a list of _fieldNames in alphabetic order, and that ought to include 'groupId'.
>>
>> That Unicode error is happening (I think) when it is trying to check if the CNS executable path exists.  Is there some odd character in that path??
>>
>> Wayne
>>
>> On Wed, 9 Jan 2013, Craig McElroy wrote:
>>
>>> Hi all,
>>> Sorry for the long e-mail... I have a number of issues because I'm trying to get CCPN 2.2.2 and ARIA 2.3 working together on a windows machine. I have CNS 1.21 and ARIA 2.3 compiled and functioning in cygwin. I haven't been able to successfully compile CCPN 2.2.2 in cygwin so I have been using the precompiled windows version. However, the directory structure of the precompiled windows version seems to be different than the linux version such that I'm not sure how to set the environment variables in my cshrc file for cygwin. I currently have them set to:
>>> setenv CCPNMR_TOP_DIR '/cygdrive/c/Program\ Files\ \(x86\)/CCPN/ccpn'
>>> setenv PYTHONPATH '$CCPNMR_TOP_DIR/python:$PYTHONPATH'
>>>
>>> but have also tried
>>> setenv CCPNMR_TOP_DIR '/cygdrive/c/Program\ Files\ \(x86\)/CCPN/'
>>> setenv PYTHONPATH '$CCPNMR_TOP_DIR/ccpn/python:$PYTHONPATH'
>>>
>>> in either case ARIA 2.3 can't find ccpn when I run the check.py script.
>>>
>>> On the other side I have set the environment variable for ARIA2 in windows and CCPN recognizes it (at least it doesn't give the no local aria error) but I get a number of errors when trying to use the ARIA module. In the window when I click on the Run Settings tab I get:
>>>
>>>>>> ERROR in ccp.nmr.NmrCalc.RunParameter.__init__
>>> WARNING Error in clean-up of incorrectly created object.
>>>        Data may be left in an illegal state Exception in Tkinter
>>> callback Traceback (most recent call last):
>>>  File "Tkinter.pyo", line 1410, in __call__  File "C:\Program Files
>>> (x86)\CCPN\ccpn\python\paris\aria\AriaRunFrame.py", line 152, in
>>> updateEntryParams  File "C:\Program Files
>>> (x86)\CCPN\ccpn\python\ccp\util\NmrCalc.py", line 81, in
>>> setRunParameter  File "C:\Program Files
>>> (x86)\CCPN\ccpn\python\ccp\api\nmr\NmrCalc.py", line 5499, in
>>> newRunParameter  File "C:\Program Files
>>> (x86)\CCPN\ccpn\python\ccp\api\nmr\NmrCalc.py", line 6652, in
>>> __init__
>>> ApiError: <ccp.nmr.NmrCalc.RunParameter ['AT3', 'ARIA', 1, None]>:
>>> error setting groupId - not a modeled attribute
>>>
>>> when I press the Launch ARIA GUI button I get:
>>>>>> Exception in Tkinter callback
>>> Traceback (most recent call last):
>>>  File "Tkinter.pyo", line 1410, in __call__  File "C:\Program Files
>>> (x86)\CCPN\ccpn\python\paris\aria\AriaExtendNmrFrame.py", line 244,
>>> in runAriaGui  File "C:\Program Files
>>> (x86)\CCPN\ccpn\python\paris\aria\AriaExtendNmrFrame.py", line 221,
>>> in checkProjectPath  File "genericpath.pyo", line 18, in exists
>>> TypeError: coercing to Unicode: need string or buffer, NoneType found
>>>
>>> and when I press the Setup Project button I get:
>>>>>> Exception in Tkinter callback
>>> Traceback (most recent call last):
>>>  File "Tkinter.pyo", line 1410, in __call__  File "C:\Program Files
>>> (x86)\CCPN\ccpn\python\paris\aria\AriaExtendNmrFrame.py", line 250,
>>> in setupAriaProject  File "C:\Program Files
>>> (x86)\CCPN\ccpn\python\paris\aria\AriaExtendNmrFrame.py", line 221,
>>> in checkProjectPath  File "genericpath.pyo", line 18, in exists
>>> TypeError: coercing to Unicode: need string or buffer, NoneType found
>>>
>>> Any help/suggestions/comments would be welcome.
>>> Thanks
>>> Craig
>>>
>>
>

Top of Message | Previous Page | Permalink

JiscMail Tools


RSS Feeds and Sharing


Advanced Options


Archives

April 2024
March 2024
February 2024
January 2024
December 2023
November 2023
October 2023
September 2023
August 2023
July 2023
June 2023
May 2023
April 2023
March 2023
February 2023
January 2023
December 2022
November 2022
October 2022
September 2022
August 2022
July 2022
June 2022
May 2022
April 2022
March 2022
February 2022
January 2022
December 2021
November 2021
October 2021
September 2021
August 2021
July 2021
June 2021
May 2021
April 2021
March 2021
February 2021
January 2021
December 2020
November 2020
October 2020
September 2020
August 2020
July 2020
June 2020
May 2020
April 2020
March 2020
February 2020
January 2020
December 2019
November 2019
October 2019
September 2019
August 2019
July 2019
June 2019
May 2019
April 2019
March 2019
February 2019
January 2019
December 2018
November 2018
October 2018
September 2018
August 2018
July 2018
June 2018
May 2018
April 2018
March 2018
February 2018
January 2018
December 2017
November 2017
October 2017
September 2017
August 2017
July 2017
June 2017
May 2017
April 2017
March 2017
February 2017
January 2017
December 2016
November 2016
October 2016
September 2016
August 2016
July 2016
June 2016
May 2016
April 2016
March 2016
February 2016
January 2016
December 2015
November 2015
October 2015
September 2015
August 2015
July 2015
June 2015
May 2015
April 2015
March 2015
February 2015
January 2015
December 2014
November 2014
October 2014
September 2014
August 2014
July 2014
June 2014
May 2014
April 2014
March 2014
February 2014
January 2014
December 2013
November 2013
October 2013
September 2013
August 2013
July 2013
June 2013
May 2013
April 2013
March 2013
February 2013
January 2013
December 2012
November 2012
October 2012
September 2012
August 2012
July 2012
June 2012
May 2012
April 2012
March 2012
February 2012
January 2012
December 2011
November 2011
October 2011
September 2011
August 2011
July 2011
June 2011
May 2011
April 2011
March 2011
February 2011
January 2011
December 2010
November 2010
October 2010
September 2010
August 2010
July 2010
June 2010
May 2010
April 2010
March 2010
February 2010
January 2010
December 2009
November 2009
October 2009
September 2009
August 2009
July 2009
June 2009
May 2009
April 2009
March 2009
February 2009
January 2009
December 2008
November 2008
October 2008
September 2008
August 2008
July 2008
June 2008
May 2008
April 2008
March 2008
February 2008
January 2008
December 2007
November 2007
October 2007
September 2007
August 2007
July 2007
June 2007
May 2007
April 2007
March 2007
February 2007
January 2007
December 2006
November 2006
October 2006
September 2006
August 2006
July 2006
June 2006
May 2006
April 2006
March 2006
February 2006
January 2006
December 2005
November 2005
October 2005
September 2005
August 2005
July 2005
June 2005
May 2005
April 2005
March 2005
February 2005
January 2005
December 2004
November 2004
October 2004
September 2004
August 2004
July 2004
June 2004
May 2004
April 2004
March 2004
February 2004
January 2004
December 2003
November 2003
October 2003
September 2003


JiscMail is a Jisc service.

View our service policies at https://www.jiscmail.ac.uk/policyandsecurity/ and Jisc's privacy policy at https://www.jisc.ac.uk/website/privacy-notice

For help and support help@jisc.ac.uk

Secured by F-Secure Anti-Virus CataList Email List Search Powered by the LISTSERV Email List Manager