Hi, See below: On 21 February 2010 20:59, Sébastien Morin <sebastien.morin.1@xxxxxxxxx> wrote:
Hi, I just installed relax on a Mac using fink. relax-py26 1.3.4-2 Protein dynamics by NMR relax. data analysis I also installed the dependencies using fink. minfx-py26 1.0.2-1 The minfx optimisation library numpy-py26 [virtual package] python26 1:2.6.4-101 Interpreted, object-oriented language scientificpython-py26 2.8-1 Python modules for scientific computing scons 0.98.3-1 Python-based build tool I created a link in the relax directory pointing to the minfx directory: minfx@ -> /sw/lib/python2.6/site-packages/minfx/
This should not be necessary. If there are any strange optimisation issues, this should be the first place to look.
I compiled the relaxation curve fitting modules using scons but got the following deprecation warnings: ======== scons: Reading SConscript files ... /sw/lib/scons-0.98.3/SCons/Platform/posix.py:38: DeprecationWarning: The popen2 module is deprecated. Use the subprocess module. import popen2 /sw/lib/scons-0.98.3/SCons/Tool/msvs.py:37: DeprecationWarning: the md5 module is deprecated; use hashlib instead ========
These are ok. Like most mac software ported for other Unix systems, the versions are ancient and from the dark ages. Scons released version 1.2 in december, not of last year, but 2 years ago! See http://www.scons.org/. Hence the warnings. This is no problem though.
After, I launched relax but got the following warning: ======== ImportError: dlopen(/sw/lib/relax-py26/maths_fns/relax_fit.so, 2): no suitable image found. Did find: /sw/lib/relax-py26/maths_fns/relax_fit.so: mach-o, but wrong architecture Relaxation curve fitting is unavailable, try compiling the C modules. ========
Try "scons clean_all" followed by "scons". Does the file /sw/lib/relax-py26/maths_fns/relax_fit.so exist? This will be a problem for curve-fitting!
Concerning the test-suite, there were nultiple errors: System tests 4 failures + 20 errors Unit tests 12 errors The unit tests errors were all the same: ====== Traceback (most recent call last): File "/sw/lib/relax-py26/test_suite/unit_tests/_generic_fns/_structure/test_scientific.py", line 54, in setUp self.data = Scientific_data() File "/sw/lib/relax-py26/generic_fns/structure/scientific.py", line 60, in __init__ raise RelaxError, "The Scientific python PDB module Scientific.IO.PDB could not be imported." RelaxError: RelaxError: The Scientific python PDB module Scientific.IO.PDB could not be imported. ====== ... I guess all these errors are not normal... Any idea to help me debug this issue ? Thank you !!!
This is normal as Scientific python is not installed. Maybe it would be good to add a new section to the test suite listing the installed and missing modules, and then disabling the relevant system and unit tests (scientific-python, relax curve-fitting C modules, etc.) if missing. This will be a bit of work though, hence why I haven't done it yet! I would guess that all the failures are due to these 2 missing pieces, but it's hard to tell. Regards, Edward