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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