[Fwd: Re: [MMTK] Minimization module]

vanitha at cs.wisc.edu vanitha at cs.wisc.edu
Wed Nov 16 21:18:36 CET 2005

(Please see emails below to understand this question in context)
I downloaded MMTK-2.5.11 and I did not install it, but I ran python
setup.py build within the Langevian Dynamics folder. I get the following

running build
running build_ext
building 'MMTK_langevin' extension
gcc -pthread -fno-strict-aliasing -DNDEBUG -g -O3 -Wall
-Wstrict-prototypes -fPIC -I./ -I/u/v/a/vanitha/include/python2.4 -c
./MMTK_langevin.c -o build/temp.linux-i686-2.4/./MMTK_langevin.o
./MMTK_langevin.c:11:18: ranf.h: No such file or directory
./MMTK_langevin.c: In function `gaussian_bivariate':
./MMTK_langevin.c:144: warning: implicit declaration of function `Ranf'
./MMTK_langevin.c: At top level:
./MMTK_langevin.c:428: warning: function declaration isn't a prototype
./MMTK_langevin.c: In function `initMMTK_langevin':
./MMTK_langevin.c:430: warning: unused variable `universe'
./MMTK_langevin.c:430: warning: unused variable `trajectory'
./MMTK_langevin.c:430: warning: unused variable `forcefield'
./MMTK_langevin.c: At top level:
/u/v/a/vanitha/include/python2.4/Scientific/netcdfmodule.h:242: warning:
'PyNetCDF_API' defined but not used
error: command 'gcc' failed with exit status 1

What am I missing? Also, I would like to install MMTK-2.5.11. Can I just
do the build and install and overwrite my existing MMTK installation?
Do you have some examples of how to use Pyrex within MMTK?

Thanks much,

- Vanitha

> On 16.11.2005, at 19:19, vanitha at cs.wisc.edu wrote:
>> I tried running "python compile.py" within Examples/LangevianDynamics
>> and I got the following error:
> You are using the installation mechanism for old Python releases (1.5
> and before). It is no longer supported by today's Python versions.
> The modern way of compiling and installing modules is
> 	python setup.py build
> 	python setup.py install
> If you don't see setup.py in the LangevinDynamics directory, then
> please download MMTK 2.5.11 (even if you don't plan to use it) and
> use the LangevinDynamics code from there, which is packaged for
> modern Pythons.
> Konrad.
> --
> ------------------------------------------------------------------------
> -------
> Konrad Hinsen
> Laboratoire Leon Brillouin (CEA-CNRS), CEA Saclay,
> 91191 Gif-sur-Yvette Cedex, France
> Tel.: +33-1 69 08 79 25
> Fax: +33-1 69 08 82 61
> E-Mail: khinsen at cea.fr
> ------------------------------------------------------------------------
> -------

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