[MMTK] MMTK 2.5.19

Mark Williamson Mark.Williamson at imperial.ac.uk
Mon Apr 23 13:48:01 UTC 2007


Konrad Hinsen wrote:
> A new development release of the Molecular Modelling Toolkit is  
> available now. The main new feature (which requires ScientificPython  
>  >= 2.7.5) is the availability of crystallographic symmetry  
> information in PDB.PDBConfiguration. There are also various minor  
> improvements.

Hi Konrad,

I'm not sure if this is a bug, but I hit some issues with complains 
about numpy not being present when I started to build 2.5.19. I 
eventually tracked the problem down to me not actually reading the 
instructions fully in your email; I had not updated my Scientific to >= 
2.7.5 .

Perhaps this section in the MMTK 2.5.19 setup.py file:


# Check that we have Scientific 2.6 or higher
try:
     from Scientific import __version__ as scientific_version
     scientific_version = scientific_version.split('.')
     scientific_ok = int(scientific_version[0]) >= 2 and \
                     int(scientific_version[1]) >= 6
except ImportError:
     scientific_ok = False
if not scientific_ok:
     print "MMTK needs ScientificPython 2.6 or higher"
     raise SystemExit


could be updated to generate a warning that this version of MMTK needs 
Scientific 2.7.5. ?


# Check that we have Scientific 2.7.5 or higher
try:
     from Scientific import __version__ as scientific_version
     scientific_version = scientific_version.split('.')
     scientific_ok = int(scientific_version[0]) >= 2 and \
                     int(scientific_version[1]) >= 7 and \
                     int(scientific_version[2]) >= 5
except ImportError:
     scientific_ok = False
if not scientific_ok:
     print "MMTK needs ScientificPython 2.7.5 or higher"
     raise SystemExit


regards,

Mark



More information about the mmtk mailing list