Re: Development of the relax-disp branch. -- May 13, 2013 - 15:18

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 #
> > > > > > ##########################################