mailA great thank you from SBiNLab, Copenhagen University - (And a small system test fail in 3.1.5 related to python numpy:-) )


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Posted by Troels Emtekær Linnet on February 06, 2014 - 10:19:
Dear Edward.

Thank you for releasing version 3.1.5.

And I am happy to report that the use of relax in our lab is now spreading.

A bachelor student have the last months extensively used relax to analyse recorded CPMG data sets, where I see that the data-flow and analysis have become much easier for us.
Thank you!

And I am also happy to see that a post-doc is extremely happy for using the GUI interface for R1+R2 Relaxation curve-fitting analysis and NOE analysis.

And from here I would like to express from several users, that your extensive manual is of absolute very very high value. That is fantastic. That is such a great amount of work.

Thank you!

Cheers from here!
Troels Linnet
On behalf of the NMR students in
SBiNLab, BIOcenter, Copenhagen University


-----------------
I will finish off with a small report that I at the moment get a small system test fail in 3.1.5

I think it is related to a numpy version?
We have 1.4.1 from our Red-hat distribution.
    from numpy import array, cross, dot, float16, float64, transpose, zeros
ImportError: cannot import name float16

Is there a requirement version number for numpy ?

--------------------------------
[software@haddock relax-3.1.5]$ ./relax -x
Echoing of user function calls has been enabled.


=============================
= System / functional tests =
=============================

....................................................................E...............................................................................................................................................................................................................................................................................................
======================================================================
ERROR: Generate the rotor2 distribution of CaM.
----------------------------------------------------------------------



                                            relax 3.1.5

                              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.

Processor fabric:  Uni-processor.

Traceback (most recent call last):
  File "/sbinlab2/software/NMR-relax/relax-3.1.5/test_suite/system_tests/frame_order.py", line 645, in test_generate_rotor2_distribution
    self.interpreter.run(script_file=self.cam_path+'generate_rotor2_distribution.py')
  File "/sbinlab2/software/NMR-relax/relax-3.1.5/prompt/interpreter.py", line 278, in run
    return run_script(intro=self.__intro_string, local=locals(), script_file=script_file, quit=self.__quit_flag, show_script=self.__show_script, raise_relax_error=self.__raise_relax_error)
  File "/sbinlab2/software/NMR-relax/relax-3.1.5/prompt/interpreter.py", line 576, in run_script
    return console.interact(intro, local, script_file, quit, show_script=show_script, raise_relax_error=raise_relax_error)
  File "/sbinlab2/software/NMR-relax/relax-3.1.5/prompt/interpreter.py", line 468, in interact_script
    exec_script(script_file, local)
  File "/sbinlab2/software/NMR-relax/relax-3.1.5/prompt/interpreter.py", line 341, in exec_script
    runpy.run_module(module, globals)
  File "/usr/lib64/python2.6/runpy.py", line 140, in run_module
    fname, loader, pkg_name)
  File "/usr/lib64/python2.6/runpy.py", line 34, in _run_code
    exec code in run_globals
  File "/sbinlab2/software/NMR-relax/relax-3.1.5/test_suite/system_tests/scripts/frame_order/cam/generate_rotor2_distribution.py", line 15, in <module>
    from test_suite.shared_data.frame_order.cam.generate_base import Main
  File "/sbinlab2/software/NMR-relax/relax-3.1.5/test_suite/shared_data/frame_order/cam/generate_base.py", line 27, in <module>
    from numpy import array, cross, dot, float16, float64, transpose, zeros
ImportError: cannot import name float16

----------------------------------------------------------------------
Ran 356 tests in 922.788s

FAILED (errors=1)


==============
= Unit tests =
==============

........................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................
----------------------------------------------------------------------
Ran 1272 tests in 18.364s

OK


=============
= GUI tests =
=============

....................................................................
----------------------------------------------------------------------
Ran 68 tests in 200.113s

OK


===================================
= Summary of the relax test suite =
===================================



Optional packages/modules
=========================

No tests skipped due to missing modules.



Synopsis
========

System/functional tests ................................................................. [ Failed ]
Unit tests .................................................................................. [ OK ]
GUI tests ................................................................................... [ OK ]
Synopsis ................................................................................ [ Failed ]
-------------------------

[software@haddock relax-3.1.5]$ ./relax -i



                                            relax 3.1.5

                              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.

Processor fabric:  Uni-processor.


Hardware information:
    Machine:                 x86_64
    Processor:               x86_64
    Endianness:              little
    Total RAM size:          24013 Mb
    Total swap size:         26191 Mb

Operating system information:
    System:                  Linux
    Release:                 2.6.32-431.el6.x86_64
    Version:                 #1 SMP Sun Nov 10 22:19:54 EST 2013
    GNU/Linux version:       Red Hat Enterprise Linux Server 6.5 Santiago
    Distribution:            redhat 6.5 Santiago
    Full platform string:    Linux-2.6.32-431.el6.x86_64-x86_64-with-redhat-6.5-Santiago

Python information:
    Architecture:            64bit ELF
    Python version:          2.6.6
    Python branch:           tags/r266
    Python build:            r266:84292, Sep  4 2013 07:46:00
    Python compiler:         GCC 4.4.7 20120313 (Red Hat 4.4.7-3)
    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:      ['/sbinlab2/software/NMR-relax/relax-3.1.5', '/sbinlab2/software/CCP4-Linux_6.3.0/ccp4-6.3.0/share/python', '/sbinlab2/software/NMR-relax/relax-3.1.5', '/sbinlab2/software/x64/haddock2.1', '/sbinlab2/software/x64/lib64/python2.6/site-packages', '/sbinlab2/software/x64/ccpnmr/ccpnmr2.3/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/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/lib/python2.6/site-packages/setuptools-0.6c11-py2.6.egg-info']

Python packages and modules (most are optional):

Name               Installed    Version                    Path                                                          
minfx              True         1.0.5                      /sbinlab2/software/NMR-relax/relax-3.1.5/minfx                
bmrblib            True         1.0.3                      /sbinlab2/software/NMR-relax/relax-3.1.5/bmrblib              
numpy              True         1.4.1                      /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     
mpi4py             True         1.3.1                      /usr/lib64/python2.6/site-packages/mpi4py                     
epydoc             False                                                                                                 
optparse           True         1.5.3                      /usr/lib64/python2.6/optparse.pyc                             
readline           True                                    /usr/lib64/python2.6/lib-dynload/readline.so                  
profile            True                                    /usr/lib64/python2.6/profile.pyc                              
bz2                True                                    /usr/lib64/python2.6/lib-dynload/bz2.so                       
gzip               True                                    /usr/lib64/python2.6/gzip.pyc                                 
io                 True                                    /usr/lib64/python2.6/io.pyc                                   
xml                True         0.8.4 (PyXML)              /usr/lib64/python2.6/site-packages/_xmlplus/__init__.pyc      
xml.dom.minidom    True                                    /usr/lib64/python2.6/site-packages/_xmlplus/dom/minidom.pyc   

relax information:
    Version:                 3.1.5
    Processor fabric:        Uni-processor.

relax C modules:

Module                        Compiled    File type                                                                                   Path                                                                     
target_functions.relax_fit    True        ELF 64-bit LSB shared object, x86-64, version 1 (SYSV), dynamically linked, not stripped    /sbinlab2/software/NMR-relax/relax-3.1.5/target_functions/relax_fit.so   


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