mail[bug #23232] FAIL: test_create_diff_tensor_pdb_oblate (test_suite.system_tests.structure.Structure)


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Posted by Jack Howarth on January 31, 2015 - 23:45:
URL:
  <http://gna.org/bugs/?23232>

                 Summary: FAIL: test_create_diff_tensor_pdb_oblate
(test_suite.system_tests.structure.Structure)
                 Project: relax
            Submitted by: jhowarth
            Submitted on: Sat 31 Jan 2015 10:45:32 PM UTC
                Category: Test suite
Specific analysis category: None
                Priority: 5 - Normal
                Severity: 3 - Normal
                  Status: None
             Assigned to: None
         Originator Name: 
        Originator Email: 
             Open/Closed: Open
                 Release: 3.3.5
         Discussion Lock: Any
        Operating System: Mac OS X (Intel)

    _______________________________________________________

Details:

The relax 3.3.5 on x86_64-apple-darwin14 produces a new regression...

FAIL: test_create_diff_tensor_pdb_oblate
(test_suite.system_tests.structure.Structure)
Check the 3D coordinates of the PDB representation of the optimised oblate
diffusion tensor

Processor fabric:  Uni-processor.


Hardware information:
    Machine:                 x86_64
    Processor:               i386
    Processor name:          Intel(R) Xeon(R) CPU           E5462  @ 2.80GHz
    Endianness:              little
    Total RAM size:          2048.0 Mb
    Total swap size:         8192.0 Mb

Operating system information:
    System:                  Darwin
    Release:                 14.1.0
    Version:                 Darwin Kernel Version 14.1.0: Mon Dec 22 23:10:38
PST 2014; root:xnu-2782.10.72~2/RELEASE_X86_64
    Mac version:             10.10.2 (, , ) x86_64
    Distribution:              
    Full platform string:    Darwin-14.1.0-x86_64-i386-64bit

Python information:
    Architecture:            64bit 
    Python version:          2.7.9
    Python branch:           
    Python build:            default, Dec 14 2014 13:48:19
    Python compiler:         GCC 4.2.1 Compatible Apple LLVM 6.0
(clang-600.0.56)
    Libc version:             
    Python implementation:   CPython
    Python revision:         
    Python executable:       /sw/bin/python2.7
    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.float_info(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=2.220446049250313e-16, radix=2,
rounds=1)
    Python module path:      ['/sw/lib/relax-py27', '/sw/lib/python27.zip',
'/sw/lib/python2.7', '/sw/lib/python2.7/plat-darwin',
'/sw/lib/python2.7/plat-mac', '/sw/lib/python2.7/plat-mac/lib-scriptpackages',
'/sw/lib/python2.7/lib-tk', '/sw/lib/python2.7/lib-old',
'/sw/lib/python2.7/lib-dynload', '/sw/lib/python2.7/site-packages',
'/sw/lib/python2.7/site-packages/ccpnmr/ccpnmr2.4/python',
'/sw/lib/python2.7/site-packages/wx-3.0-osx_cocoa']

Python packages and modules (most are optional):

Name               Installed    Version                        Path           
                                       
minfx              True         1.0.11                        
/sw/lib/relax-py27/minfx                               
bmrblib            True         1.0.3                         
/sw/lib/relax-py27/bmrblib                             
numpy              True         1.9.1                         
/sw/lib/python2.7/site-packages/numpy                  
scipy              True         0.15.1                        
/sw/lib/python2.7/site-packages/scipy                  
wxPython           True         3.0.2.0 osx-cocoa (classic)   
/sw/lib/python2.7/site-packages/wx-3.0-osx_cocoa/wx    
matplotlib         False                                                      
                                       
mpi4py             False                                                      
                                       
epydoc             False                                                      
                                       
optparse           True         1.5.3                         
/sw/lib/python2.7/optparse.pyc                         
readline           True                                       
/sw/lib/python2.7/lib-dynload/readline.so              
profile            True                                       
/sw/lib/python2.7/profile.pyc                          
bz2                True                                       
/sw/lib/python2.7/lib-dynload/bz2.so                   
gzip               True                                       
/sw/lib/python2.7/gzip.pyc                             
io                 True                                       
/sw/lib/python2.7/io.pyc                               
xml                True         0.8.4 (internal)              
/sw/lib/python2.7/xml/__init__.pyc                     
xml.dom.minidom    True                                       
/sw/lib/python2.7/xml/dom/minidom.pyc                  

relax information:
    Version:                 3.3.5
    Processor fabric:        Uni-processor.

relax C modules:

Module                        Compiled    File type                      Path 
                                              
target_functions.relax_fit    True        Mach-O 64-bit bundle x86_64   
/sw/lib/relax-py27/target_functions/relax_fit.so    



    _______________________________________________________

File Attachments:


-------------------------------------------------------
Date: Sat 31 Jan 2015 10:45:32 PM UTC  Name: failure.log  Size: 52kB   By:
jhowarth

<http://gna.org/bugs/download.php?file_id=23677>

    _______________________________________________________

Reply to this item at:

  <http://gna.org/bugs/?23232>

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