mailRe: Development of the relax-disp branch.


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Posted by Troels Emtekær Linnet on May 13, 2013 - 19:55:
I succeded with the 32 bit ! :-)

--------------------------------

C:\WinPython27\packages_32bit\relax_disp>scons
scons: Reading SConscript files ...
scons: done reading SConscript files.
scons: Building targets ...


###########################
# Compiling the C modules #
###########################


Building the relaxation curve fitting module 'target_functions\\relax_fit.pyd'

cl /Fotarget_functions\c_chi2.obj /c target_functions\c_chi2.c /nologo /I"C:\Win
Python27\WinPython-32bit-2.7.4.1\python-2.7.4\include"
c_chi2.c
cl /Fotarget_functions\exponential.obj /c target_functions\exponential.c /nologo
 /I"C:\WinPython27\WinPython-32bit-2.7.4.1\python-2.7.4\include"
exponential.c
cl /Fotarget_functions\relax_fit.obj /c target_functions\relax_fit.c /nologo /I"
C:\WinPython27\WinPython-32bit-2.7.4.1\python-2.7.4\include"
relax_fit.c
c:\winpython27\packages_32bit\relax_disp\target_functions\relax_fit.c(137) : war
ning C4700: uninitialized local variable 'params' used
link /nologo /dll /out:target_functions\relax_fit.pyd /implib:target_functions\r
elax_fit.lib /LIBPATH:C:\WinPython27\WinPython-32bit-2.7.4.1\python-2.7.4\libs t
arget_functions\c_chi2.obj target_functions\exponential.obj target_functions\rel
ax_fit.obj
   Creating library target_functions\relax_fit.lib and object target_functions\r
elax_fit.exp
scons: done building targets.

C:\WinPython27\packages_32bit\relax_disp>relax



                       relax repository checkout r19681
                svn://svn.gna.org/svn/relax/branches/relax_disp

                    Molecular dynamics by NMR data analysis

                   Copyright (C) 2001-2006 Edward d'Auvergne
              Copyright (C) 2006-2013 the relax development team

This is free software which you are welcome to modify and redistribute under
the conditions of the GNU General Public License (GPL).  This program,
including all modules, is licensed under the GPL and comes with absolutely no
warranty.  For details type 'GPL' within the relax prompt.

Assistance in using the relax prompt and scripting interface can be accessed by
typing 'help' within the prompt.

Processor fabric:  Uni-processor.

relax>


2013/5/13 Troels Emtekær Linnet <tlinnet@xxxxxxxxx>
Hi Edward.

Let's then do it with the winpython.

It's free for all, and you can setup a "local" version of python.
I even like this distribution better than epd, since it is more "free". (It just came to my attention, some days ago)
And you have the spyder gui packed in, ready for coding scientific in windows.

I downloaded the 64 bit.
I opened the Winpython control panel, in the extracted folder. See info here: http://code.google.com/p/winpython/wiki/WPPM
Downloaded and "Dragged" in minfx (as tar.gz), into the control panel to install.
Downloaded scons 64 bit from Gohlke: http://www.lfd.uci.edu/~gohlke/pythonlibs/
Also dragged the .exe file into control panel to install.
Opened the short cut to windows command (fixes path issues), and tested the call to scons. (where scons).
Fixed the scons bug thing in the python file.
After confirming it was using the right scons, I navigated to the relax-disp folder.
Did a scons clean_all, and then scons

Same issues last night.

I will try the 32 bit version, a little later today.

Best
Troels

Troels Emtekær Linnet


2013/5/13 Edward d'Auvergne <edward@xxxxxxxxxxxxx>
Oh, one slight problem with EPD - I don't have a university email and
do not work at a university.  The Canopy Express version which is free
does not support 64-bit.  I might have a problem replicating this!  Do
you use 64-bit Windows 7 with the 64-bit EPD?

Regards,

Edward



On 13 May 2013 15:06, Edward d'Auvergne <edward@xxxxxxxxxxxxx> wrote:
> Hi,
>
> Sorry I didn't see the attached file.  It's better to copy and paste
> such text directly in an email, or attach it to one of the relax
> trackers (support request, bug tracker, or task tracker).  For example
> for relaxation dispersion there is the task at
> https://gna.org/task/?6401.  In some cases it is better to create a
> support request for just that specific file.  Attaching files to
> messages sent to mailing lists is not a good idea as the number of
> copies of that attachment will be massively amplified and sent out to
> all people on the mailing list.  It is a strain on the open source
> infrastructure of Gna! and on the infrastructure of the mailing list
> archivers:
>
> https://mail.gna.org/public/relax-devel/2013-05/msg00021.html
> http://thread.gmane.org/gmane.science.nmr.relax.devel/3835/focus=3854
> http://www.mail-archive.com/relax-devel@xxxxxxx/msg03785.html
> http://marc.info/?l=relax-devel&m=136844948831132&w=2
>
> I'll install EPD and see if I can reproduce the issue.  To do that I
> need to install exactly the same software and software versions.
>
> Cheers,
>
> Edward
>
>
>
> On 13 May 2013 14:50, Troels Emtekær Linnet <tlinnet@xxxxxxxxx> wrote:
>> Hi Edward.
>>
>> I have the EPD dist. installed. (Not the Canopy)
>> (The detailed install instructions, I have specified in the attached text
>> file.)
>>
>> I also tried with the winpython dist. yesterday, with the same result.
>>
>> I am about to try out the win32 distribution of these.
>>
>> Best
>> Troels
>>
>> Troels Emtekær Linnet
>>
>>
>> 2013/5/13 Edward d'Auvergne <edward@xxxxxxxxxxxxx>
>>>
>>> Hi Troels,
>>>
>>> I'm looking at replicating your setup in a virtual machine, but there
>>> is one piece of information missing.  Did you use Anaconda
>>> (http://continuum.io) or Enthought Python Distribution (EPD,
>>> https://www.enthought.com/canopy-express/) in combination with
>>> IPython?  This might be where the problem lies, one of these might not
>>> be compatible with compiling the C modules or may require settings to
>>> be changes to allow it to run with the MSVS compilers.
>>>
>>> Cheers,
>>>
>>> Edward
>>>
>>>
>>>
>>>
>>> On 12 May 2013 21:21, Edward d'Auvergne <edward@xxxxxxxxxxxxx> wrote:
>>> > Hi,
>>> >
>>> > Maybe I could try to set up MSVS 2012 tomorrow in a virtual machine with
>>> > 64-bit Win7 and see if I can reproduce the problem.  It is clear that
>>> > the
>>> > relax sconstruct script is pointing to all the correct locations.  If
>>> > you
>>> > type out the compiler commands by hand, they should just work.
>>> > Therefore
>>> > the problem is very unlikely to be with relax itself, but rather with
>>> > the
>>> > Microsoft 2012 C++ toolchain and/or its interaction with IPython.  I'm
>>> > wondering if it is a 64 vs. 32-bit mismatch issue.  Do you have a 64-bit
>>> > Windows install?  Is the compiler toolchain (MSVS) 64-bit?  Is the
>>> > Python
>>> > version bundled with IPython 64-bit?  I really hope the issue is not
>>> > because
>>> > IPython is incompatible with MSVS!  I think we are narrowing the problem
>>> > down a bit and we should get to the bottom of it soon.  For me
>>> > replicating
>>> > the issue, could you list the exact version and bit number of the
>>> > operating
>>> > system, MSVS, and IPython.
>>> >
>>> > Cheers,
>>> >
>>> > Edward
>>> >
>>> >
>>> >
>>> >
>>> > On Sunday, 12 May 2013, Troels Emtekær Linnet wrote:
>>> >>
>>> >> Hi Edward.
>>> >>
>>> >> I have a the file
>>> >> python27.lib
>>> >> in C:\Python27\libs.
>>> >>
>>> >> I still don't have a clue whats wrong.
>>> >> Could it be something with Visual C++ 2005 Express Edition?
>>> >>
>>> >> I am not sure the installation went correct, since when I do
>>> >> Windows Start button->Microsoft Windows SDK v7.1->Visual Studio
>>> >> Registration->Windows SDK Configuration Tool
>>> >> Change "Installed Windows SDK Versions:" from v7.1 to 8.0
>>> >> I get an error:
>>> >> "Your system does not have Visual Studio 2005 or  Visual Studio 2008
>>> >> installed"
>>> >>
>>> >> Best
>>> >>
>>> >> Troels Emtekær Linnet
>>> >>
>>> >>
>>> >> 2013/5/11 Edward d'Auvergne <edward@xxxxxxxxxxxxx>
>>> >>
>>> >> Hi,
>>> >>
>>> >> We should be able to get to the bottom of the problem and make this
>>> >> run.  But setting up the development platform on MS Windows of the
>>> >> MSVS compiler and Python is always painful.  Because of this I set up
>>> >> a virtual machine image of Windows 2000 with MSVS 2005 many years ago
>>> >> and have been using this to build the Windows pre-compiled relax
>>> >> distributions (http://www.nmr-relax.com/download.html#MS_Windows) ever
>>> >> since.  I have updated Python to version 2.7 on this vm, but the
>>> >> compiler setup works and I don't want to have to set up another
>>> >> environment.
>>> >>
>>> >> From the error messages, it is clear that this 2012 version of the
>>> >> Microsoft compiler catches more problems in the code.  The warning:
>>> >>
>>> >> c:\python27\github\relax_disp\target_functions\relax_fit.c(137) :
>>> >> warning C4700: uninitialized local variable 'params' used
>>> >>
>>> >> may be an issue.  I think this is harmless, but you could try to
>>> >> comment out line 137 of that file (the call to the exponential()
>>> >> function) and see if that makes a difference.  This is inside the
>>> >> dfunc() function which is both non-functional and not used.  This is
>>> >> supposed to return the gradient of the exponential curve but is not
>>> >> implemented yet as simplex optimisation, which does not require the
>>> >> gradient or Hessian, was sufficient for finding the solution for this
>>> >> 2 parameter problem.
>>> >>
>>> >> From these new messages, it is clear that the Python.h file is being
>>> >> found.  The include /I"C:\Python27\Scripts\..\include" is interesting
>>> >> as this implies that sys.prefix as seen by scons is set to
>>> >> "C:\Python27\Scripts\..".  Although strange, this may not be an issue.
>>> >>  But when you run Python, you see sys.prefix as "C:\Python27".
>>> >> Hmmmm.....
>>> >>
>>> >> Maybe the problem is not that Python.h cannot be found, but that the
>>> >> python32.lib file cannot be found.  Can you see this file in your
>>> >> C:\Python27\libs\ directory?  You can see that this is used in the
>>> >> linking command:
>>> >>
>>> >> link /nologo /dll /out:target_functions\relax_fit.pyd
>>> >> /implib:target_functions\relax_fit.lib /LIBPATH:C:\Python27\libs
>>> >> target_functions\c_chi2.obj target_functions\exponential.obj
>>> >> target_functions\relax_fit.obj
>>> >>
>>> >> On Windows, there should be a python32.lib file in the LIBPATH.
>>> >>
>>> >> Regards,
>>> >>
>>> >> Edward
>>> >>
>>> >>
>>> >>
>>> >>
>>> >>
>>> >>
>>> >> On 11 May 2013 12:41, Troels Emtekær Linnet <tlinnet@xxxxxxxxx> wrote:
>>> >> > Hi Edward.
>>> >> >
>>> >> > Sigh.
>>> >> >
>>> >> > I have looked around for
>>> >> > "error LNK2019: unresolved external symbol"
>>> >> > and it seems that many experience the problem.
>>> >> >
>>> >> > But there don't seem to be an universal explanation/bug fix.
>>> >> > And if I find a thing I would like to try, I really don't know where
>>> >> > to
>>> >> > start. ? :-)
>>> >> >
>>> >> > - "In Visual-Studio most linkage problems are related to forget
>>> >> > adding
>>> >> > .cpp
>>> >> > files."
>>> >> > - Url 2,  Url3, Url4, Url5, Url6
>>> >> >
>>> >> > In the last Url, there is this solution:
>>> >> > ---
>>> >> > in the Project properties, set the Platform Toolset to VS2008 (v90)
>>> >> > and
>>> >> > the
>>> >> > correct directories depending on your installation (ie : include =>
>>> >> > C:\Program Files (x86)\Windows Kits\8.0\Include\shared;C:\Program
>>> >> > Files
>>> >> > (x86)\Windows Kits\8.0\Include\um;$(IncludePath) and Libraries =>
>>> >> > C:\Program
>>> >> > Files (x86)\Windows Kits\8.0\Lib\win8\um\x64;$(LibraryPath)). Don't
>>> >> > forget
>>> >> > to set the .lib in Link entries.
>>> >> > ---
>>> >> >
>>> >> > After installation of Visual Studio 2012, I do have the folder:
>>> >> > C:\Program Files (x86)\Windows Kits\8.0
>>> >> >
>>> >> > I have  attached a text file, how I have installed until now.
>>> >> >
>>> >> > I hope we can break this "annoying behaviour?"
>>> >> > Where should I look, if .ccp files is added ??
>>> >> >
>>> >> > Best
>>> >> > Troels
>>> >> > ------------------------
>>> >> >
>>> >> > C:\Python27\github\relax_disp>scons clean_all
>>> >> > scons: Reading SConscript files ...
>>> >> > scons: done reading SConscript files.
>>> >> > scons: Building targets ...
>>> >> > clean_manual_files(["manual_clean"], [])
>>> >> >
>>> >> > ##########################################
>>> >> > # Cleaning up the temporary manual files #
>>> >> > ##########################################
>>> >> >
>>> >> >
>>> >> >
>>> >> >
>>> >> >
>>
>>



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