Re: C modules not compiled

2014-11-13 Thread Troels Emtekær Linnet
Hi.

Try just write scons

But this should only be for the source code.

The packaged versions should already have the compiled C code in it.

So this is weird.

Can you run
relax - d
and post it here?

Best
Troels
On 13 Nov 2014 22:34, "Maciejewski,Mark W."  wrote:

> Hello,
>
> I have installed relax 3.2.3 on CentOS release 6.6. The program runs fine
> except for the error:
> "ImportError: relaxation curve fitting is unavailable, the corresponding C
> modules have not been compiled."
>
> I installed relax using the command:
> scons install
>
> I have searched the archives and see that others have had similar
> problems, but cannot find a solution that works for me.
>
> Any suggestions on how to install or compile the C modules?
>
> Below is the output from "relax -info"
>
> Thanks,
> Mark
>
>
> [nmradmin@nmrbox_wisc ~]$ relax --info
>
>
>
> relax 3.2.3
>
>   Molecular dynamics by NMR data analysis
>
>  Copyright (C) 2001-2006 Edward d'Auvergne
>  Copyright (C) 2006-2014 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.
>
> ImportError: relaxation curve fitting is unavailable, the corresponding C
> modules have not been compiled.
>
> Processor fabric:  Uni-processor.
>
>
> Hardware information:
> Machine: x86_64
> Processor:   x86_64
> Processor name:  Intel(R) Xeon(R) CPU E5-1620 0 @ 3.60GHz
> Endianness:  little
> Total RAM size:  3832 Mb
> Total swap size: 3967 Mb
>
> Operating system information:
> System:  Linux
> Release: 2.6.32-504.1.3.el6.x86_64
> Version: #1 SMP Tue Nov 11 17:57:25 UTC 2014
> GNU/Linux version:   CentOS 6.6 Final
> Distribution:centos 6.6 Final
> Full platform string:
> Linux-2.6.32-504.1.3.el6.x86_64-x86_64-with-centos-6.6-Final
>
> Python information:
> Architecture:64bit ELF
> Python version:  2.6.6
> Python branch:   tags/r266
> Python build:r266:84292, Jan 22 2014 09:42:36
> Python compiler: GCC 4.4.7 20120313 (Red Hat 4.4.7-4)
> Libc version:glibc 2.2.5
> Python implementation:   CPython
> Python revision: 84292
> Python executable:   /usr/bin/python
> Python flags:sys.flags(debug=0, py3k_warning=0,
> division_warning=0, division_new=0, inspect=0, interactive=0, optimize=0,
> dont_write_bytecode=0, no_user_site=0, no_site=0, ignore_environment=0,
> tabcheck=0, verbose=0, unicode=0, bytes_warning=0, hash_randomization=0)
> Python float info:   sys.floatinfo(max=1.7976931348623157e+308,
> max_exp=1024, max_10_exp=308, min=2.2250738585072014e-308, min_exp=-1021,
> min_10_exp=-307, dig=15, mant_dig=53, epsilon=2.2204460492503131e-16,
> radix=2, rounds=1)
> Python module path:  ['/usr/local/relax',
> '/usr/lib/python2.6/site-packages/requests-2.4.3-py2.6.egg',
> '/usr/lib/python2.6/site-packages/pip-1.5.6-py2.6.egg',
> '/usr/lib/python2.6/site-packages/distribute-0.7.3-py2.6.egg',
> '/usr/lib/python2.6/site-packages/setuptools-7.0-py2.6.egg',
> '/home/nmradmin', '/usr/local/ccpnmr/ccpnmr2.4/python',
> '/usr/lib64/python26.zip', '/usr/lib64/python2.6',
> '/usr/lib64/python2.6/plat-linux2', '/usr/lib64/python2.6/lib-tk',
> '/usr/lib64/python2.6/lib-old', '/usr/lib64/python2.6/lib-dynload',
> '/usr/lib64/python2.6/site-packages',
> '/usr/lib64/python2.6/site-packages/PIL',
> '/usr/lib64/python2.6/site-packages/gst-0.10',
> '/usr/lib64/python2.6/site-packages/gtk-2.0',
> '/usr/lib64/python2.6/site-packages/webkit-1.0',
> '/usr/lib64/python2.6/site-packages/wx-2.8-gtk2-unicode',
> '/usr/lib/python2.6/site-packages',
> '/usr/lib64/python2.6/site-packages/Scientific/linux2']
>
> Python packages and modules (most are optional):
>
> Name   InstalledVersionPath
> minfx  True 1.0.7
> /usr/local/relax/minfx
> bmrblibTrue 1.0.3
> /usr/local/relax/bmrblib
> numpy  True 1.9.1
> /usr/lib64/python2.6/site-packages/numpy
> scipy  True 0.7.2
> /usr/lib64/python2.6/site-packages/scipy
> wxPython   True 2.8.12.0 (gtk2-unicode)
> /usr/lib64/python2.6/site-packages/wx-2.8-gtk2-unicode/wx
> matplotlib True 0.99.1.1
>  /usr/lib64/python2.6/site-packages/matplotlib
> mpi4py False
> epydoc True 3.0.1
> /usr/

Re: C modules not compiled

2014-11-14 Thread Edward d'Auvergne
Hi Mark,

Welcome to the relax mailing lists!  The problem you see could be due
to a number of factors.  Firstly, could you check if you have the
compiled file present on your system:

$ ls -alh /usr/local/relax/target_functions/relax_fit.so
$ file /usr/local/relax/target_functions/relax_fit.so


If the file is there, then maybe you have a Python version problem.
The C module was compiled using Python 2.7.  Normally this will then
work for Python 2.5, 2.6 and 2.7 but not Python >= 3.1 (I have a Linux
set up, both 32 and 64-bit with all versions of Python from 1.0 to 3.4
that I regularly check this with).  You can check this by running
relax and typing:

relax> import target_functions.relax_fit


For example in Python 3, this gives the error:

relax> import target_functions.relax_fit
Traceback (most recent call last):
  File "", line 1, in 
ImportError: /data/relax/relax-trunk/target_functions/relax_fit.so:
undefined symbol: Py_InitModule4_64


Maybe you will see something similar.  In any case you have two
alternatives.  The first is to upgrade Python, if the relax_fit.so
file exists, though this can be a painful and dangerous task on Linux
systems (you can change the base 'relax' file to point to a different
alternative Python version if you wish).  The second is as Troels
suggests.  Install the scons program, the Python headers, and then
just run 'scons' as root in the /usr/local/relax directory to compile
the module yourself.

Note that you only need this C module for fitting exponential curves
for the R1, R2, or relaxation dispersion analyses.

Regards,

Edward





On 14 November 2014 01:05, Troels Emtekær Linnet  wrote:
> Hi.
>
> Try just write scons
>
> But this should only be for the source code.
>
> The packaged versions should already have the compiled C code in it.
>
> So this is weird.
>
> Can you run
> relax - d
> and post it here?
>
> Best
> Troels
> On 13 Nov 2014 22:34, "Maciejewski,Mark W."  wrote:
>
>> Hello,
>>
>> I have installed relax 3.2.3 on CentOS release 6.6. The program runs fine
>> except for the error:
>> "ImportError: relaxation curve fitting is unavailable, the corresponding C
>> modules have not been compiled."
>>
>> I installed relax using the command:
>> scons install
>>
>> I have searched the archives and see that others have had similar
>> problems, but cannot find a solution that works for me.
>>
>> Any suggestions on how to install or compile the C modules?
>>
>> Below is the output from "relax -info"
>>
>> Thanks,
>> Mark
>>
>>
>> [nmradmin@nmrbox_wisc ~]$ relax --info
>>
>>
>>
>> relax 3.2.3
>>
>>   Molecular dynamics by NMR data analysis
>>
>>  Copyright (C) 2001-2006 Edward d'Auvergne
>>  Copyright (C) 2006-2014 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.
>>
>> ImportError: relaxation curve fitting is unavailable, the corresponding C
>> modules have not been compiled.
>>
>> Processor fabric:  Uni-processor.
>>
>>
>> Hardware information:
>> Machine: x86_64
>> Processor:   x86_64
>> Processor name:  Intel(R) Xeon(R) CPU E5-1620 0 @ 3.60GHz
>> Endianness:  little
>> Total RAM size:  3832 Mb
>> Total swap size: 3967 Mb
>>
>> Operating system information:
>> System:  Linux
>> Release: 2.6.32-504.1.3.el6.x86_64
>> Version: #1 SMP Tue Nov 11 17:57:25 UTC 2014
>> GNU/Linux version:   CentOS 6.6 Final
>> Distribution:centos 6.6 Final
>> Full platform string:
>> Linux-2.6.32-504.1.3.el6.x86_64-x86_64-with-centos-6.6-Final
>>
>> Python information:
>> Architecture:64bit ELF
>> Python version:  2.6.6
>> Python branch:   tags/r266
>> Python build:r266:84292, Jan 22 2014 09:42:36
>> Python compiler: GCC 4.4.7 20120313 (Red Hat 4.4.7-4)
>> Libc version:glibc 2.2.5
>> Python implementation:   CPython
>> Python revision: 84292
>> Python executable:   /usr/bin/python
>> Python flags:sys.flags(debug=0, py3k_warning=0,
>> division_warning=0, division_new=0, inspect=0, interactive=0, optimize=0,
>> dont_write_bytecode=0, no_user_site=0, no_site=0, ignore_environment=0,
>> tabcheck=0, verbose=0, unicode=0, bytes_warning=0, hash_randomization=0)
>> Python float info:   sys.floatinfo(max=1.7976931348623157e+308,
>> max_exp=1024, max_10_exp=308, min=2.22507385

Re: C modules not compiled

2014-11-14 Thread Edward d'Auvergne
Hi Mark,

I would also recommend that you sign up for the relax-announce mailing
list (https://mail.gna.org/listinfo/relax-announce/).  This list only
receives a few emails per year (see
http://news.gmane.org/gmane.science.nmr.relax.announce), and it is
used almost exclusively for announcing new relax versions, for example
relax 3.3.2 which I am in the process of releasing now (see
http://www.nmr-relax.com/download.html).  Since relax 3.2.3, there
have been the following releases:

http://wiki.nmr-relax.com/Relax_3.3.0
http://wiki.nmr-relax.com/Relax_3.3.1
http://wiki.nmr-relax.com/Relax_3.3.2

That last link will appear later today.  If you are performing either
a model-free or relaxation dispersion analysis, I would highly
recommend that you upgrade to relax 3.3.2 to obtain all the bug fixes
and Troels' huge relaxation dispersion speed ups
(http://wiki.nmr-relax.com/Relax_3.3.0).

Regards,

Edward


On 14 November 2014 10:19, Edward d'Auvergne  wrote:
> Hi Mark,
>
> Welcome to the relax mailing lists!  The problem you see could be due
> to a number of factors.  Firstly, could you check if you have the
> compiled file present on your system:
>
> $ ls -alh /usr/local/relax/target_functions/relax_fit.so
> $ file /usr/local/relax/target_functions/relax_fit.so
>
>
> If the file is there, then maybe you have a Python version problem.
> The C module was compiled using Python 2.7.  Normally this will then
> work for Python 2.5, 2.6 and 2.7 but not Python >= 3.1 (I have a Linux
> set up, both 32 and 64-bit with all versions of Python from 1.0 to 3.4
> that I regularly check this with).  You can check this by running
> relax and typing:
>
> relax> import target_functions.relax_fit
>
>
> For example in Python 3, this gives the error:
>
> relax> import target_functions.relax_fit
> Traceback (most recent call last):
>   File "", line 1, in 
> ImportError: /data/relax/relax-trunk/target_functions/relax_fit.so:
> undefined symbol: Py_InitModule4_64
>
>
> Maybe you will see something similar.  In any case you have two
> alternatives.  The first is to upgrade Python, if the relax_fit.so
> file exists, though this can be a painful and dangerous task on Linux
> systems (you can change the base 'relax' file to point to a different
> alternative Python version if you wish).  The second is as Troels
> suggests.  Install the scons program, the Python headers, and then
> just run 'scons' as root in the /usr/local/relax directory to compile
> the module yourself.
>
> Note that you only need this C module for fitting exponential curves
> for the R1, R2, or relaxation dispersion analyses.
>
> Regards,
>
> Edward
>
>
>
>
>
> On 14 November 2014 01:05, Troels Emtekær Linnet  wrote:
>> Hi.
>>
>> Try just write scons
>>
>> But this should only be for the source code.
>>
>> The packaged versions should already have the compiled C code in it.
>>
>> So this is weird.
>>
>> Can you run
>> relax - d
>> and post it here?
>>
>> Best
>> Troels
>> On 13 Nov 2014 22:34, "Maciejewski,Mark W."  wrote:
>>
>>> Hello,
>>>
>>> I have installed relax 3.2.3 on CentOS release 6.6. The program runs fine
>>> except for the error:
>>> "ImportError: relaxation curve fitting is unavailable, the corresponding C
>>> modules have not been compiled."
>>>
>>> I installed relax using the command:
>>> scons install
>>>
>>> I have searched the archives and see that others have had similar
>>> problems, but cannot find a solution that works for me.
>>>
>>> Any suggestions on how to install or compile the C modules?
>>>
>>> Below is the output from "relax -info"
>>>
>>> Thanks,
>>> Mark
>>>
>>>
>>> [nmradmin@nmrbox_wisc ~]$ relax --info
>>>
>>>
>>>
>>> relax 3.2.3
>>>
>>>   Molecular dynamics by NMR data analysis
>>>
>>>  Copyright (C) 2001-2006 Edward d'Auvergne
>>>  Copyright (C) 2006-2014 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.
>>>
>>> ImportError: relaxation curve fitting is unavailable, the corresponding C
>>> modules have not been compiled.
>>>
>>> Processor fabric:  Uni-processor.
>>>
>>>
>>> Hardware information:
>>> Machine: x86_64
>>> Processor:   x86_64
>>> Processor name:  Intel(R) Xeon(R) CPU E5-1620 0 @ 3.60GHz
>>> Endianness:  little
>>> Total RAM size:  3832 Mb
>>> Total swap size: 3967 Mb
>>>
>>> Operating system information:
>>> System:  Linux
>>> Release: 2.6.32-504.1.3.el6.x86_64

RE: C modules not compiled

2014-11-14 Thread Maciejewski,Mark W.
Troels and Edward,

Thanks for your assistance. Everything is working fine now.

I was using the source code to install (relax-3.3.2.src) and the relax_fit.so 
file was not present causing the problem.
From the base directory I typed "scons", which created the relax_fit.so file, 
and then "scons install " to install the program in /usr/local/relax and create 
the byte-compiled *.pyc files and everything was fine. I did not realize that I 
needed  to perform the "scons" command first before the "scons install" command.

I also downloaded the pre-build relax-3.3.2.GNU-Linux.x86_64 package and it ran 
fine as well.

Thanks again,

Mark

-Original Message-
From: edward.dauver...@gmail.com [mailto:edward.dauver...@gmail.com] On Behalf 
Of Edward d'Auvergne
Sent: Friday, November 14, 2014 4:20 AM
To: Troels Emtekær Linnet
Cc: Maciejewski,Mark W.; relax-users@gna.org
Subject: Re: C modules not compiled

Hi Mark,

Welcome to the relax mailing lists!  The problem you see could be due to a 
number of factors.  Firstly, could you check if you have the compiled file 
present on your system:

$ ls -alh /usr/local/relax/target_functions/relax_fit.so
$ file /usr/local/relax/target_functions/relax_fit.so


If the file is there, then maybe you have a Python version problem.
The C module was compiled using Python 2.7.  Normally this will then work for 
Python 2.5, 2.6 and 2.7 but not Python >= 3.1 (I have a Linux set up, both 32 
and 64-bit with all versions of Python from 1.0 to 3.4 that I regularly check 
this with).  You can check this by running relax and typing:

relax> import target_functions.relax_fit


For example in Python 3, this gives the error:

relax> import target_functions.relax_fit
Traceback (most recent call last):
  File "", line 1, in 
ImportError: /data/relax/relax-trunk/target_functions/relax_fit.so:
undefined symbol: Py_InitModule4_64


Maybe you will see something similar.  In any case you have two alternatives.  
The first is to upgrade Python, if the relax_fit.so file exists, though this 
can be a painful and dangerous task on Linux systems (you can change the base 
'relax' file to point to a different alternative Python version if you wish).  
The second is as Troels suggests.  Install the scons program, the Python 
headers, and then just run 'scons' as root in the /usr/local/relax directory to 
compile the module yourself.

Note that you only need this C module for fitting exponential curves for the 
R1, R2, or relaxation dispersion analyses.

Regards,

Edward





On 14 November 2014 01:05, Troels Emtekær Linnet  wrote:
> Hi.
>
> Try just write scons
>
> But this should only be for the source code.
>
> The packaged versions should already have the compiled C code in it.
>
> So this is weird.
>
> Can you run
> relax - d
> and post it here?
>
> Best
> Troels
> On 13 Nov 2014 22:34, "Maciejewski,Mark W."  wrote:
>
>> Hello,
>>
>> I have installed relax 3.2.3 on CentOS release 6.6. The program runs 
>> fine except for the error:
>> "ImportError: relaxation curve fitting is unavailable, the 
>> corresponding C modules have not been compiled."
>>
>> I installed relax using the command:
>> scons install
>>
>> I have searched the archives and see that others have had similar 
>> problems, but cannot find a solution that works for me.
>>
>> Any suggestions on how to install or compile the C modules?
>>
>> Below is the output from "relax -info"
>>
>> Thanks,
>> Mark
>>
>>
>> [nmradmin@nmrbox_wisc ~]$ relax --info
>>
>>
>>
>> relax 3.2.3
>>
>>   Molecular dynamics by NMR data analysis
>>
>>  Copyright (C) 2001-2006 Edward d'Auvergne
>>  Copyright (C) 2006-2014 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.
>>
>> ImportError: relaxation curve fitting is unavailable, the 
>> corresponding C modules have not been compiled.
>>
>> Processor fabric:  Uni-processor.
>>
>>
>> Hardware information:
>> Machine: x86_64
>> Processor:   x86_64
>>