[SCM] The Molecular Modelling Toolkit packaging branch, master, updated. upstream/2.7.5_beta2-39-g18ed9a9

[Picca Frédéric-Emma?==?UTF-8?Q?nuel]

The following commit has been merged in the master branch:
commit 18ed9a98783a0586ae9a40aceb264592b3150955
Author: Picca Frédéric-Emmanuel <picca at debian.org>
Date:   Sun Sep 25 11:07:49 2011 +0200

    updathe the todo for the upstream

diff --git a/debian/todo b/debian/todo
index 1f33e3c..f42d816 100644
--- a/debian/todo
+++ b/debian/todo
@@ -14,3 +14,64 @@ debian/copyright
  .
  amber_parm91  amber_parm94  amber_parm94.heme  amber_parm99  frcmod.ff99SB  frcmod.ff99SP  __init__.py  opls_parm
  licences ?
+
+upstream
+ - serait-il possible de se passer de MMTK/ForceFields/force_fields Ce
+   fichier cause pas mal d'erreurs lors de la generation de la
+   documentation.  il faudrait en faire un fichier .py ou carremenr
+   mettre les informations qu'il contient dans
+   MMTK/forcefields/__init__.py
+
+ Ici je te mets les warnings lors de la compilations (ce n'est pas obligatoire mais bon c'est toujours mieux
+ de supprimer les warning qui pourrais cacher de vrais problémes.
+ - Src/MMTK_DCD.c: In function 'writeOpenDCD':
+   Src/MMTK_DCD.c:211:10: warning: variable 'dcdErrcode' set but not used [-Wunused-but-set-variable]
+   visiblement il n'y a pas le traîtement d'erreur d'implementé dans cette methode.
+
+ - Src/MMTK_deformation.c: In function 'initMMTK_deformation':
+   Src/MMTK_deformation.c:696:13: warning: variable 'm' set but not used [-Wunused-but-set-variable]
+   Src/MMTK_deformation.c: In function 'calpha_evaluator':
+   Src/MMTK_deformation.c:591:18: warning: 'deriv2' may be used uninitialized in this function [-Wuninitialized]
+   Src/MMTK_deformation.c: In function 'reduce_deformation_py':
+   Src/MMTK_deformation.c:275:5: warning: 'max_k' may be used uninitialized in this function [-Wuninitialized]
+   Src/MMTK_deformation.c:250:26: note: 'max_k' was declared here
+
+ - Src/MMTK_dynamics.c: In function 'enforceConstraints':
+   Src/MMTK_dynamics.c:1402:7: warning: variable 'atoms' set but not used [-Wunused-but-set-variable]
+   Src/MMTK_dynamics.c: In function 'projectVelocities':
+   Src/MMTK_dynamics.c:1466:23: warning: variable 'const_blocks' set but not used [-Wunused-but-set-variable]
+   Src/MMTK_dynamics.c:1465:16: warning: variable 'n_const_blocks' set but not used [-Wunused-but-set-variable]
+   Src/MMTK_dynamics.c: At top level:
+   /usr/include/python2.7/Scientific/netcdfmodule.h:262:15: warning: 'PyNetCDF_API' defined but not used [-Wunused-variable]
+   Src/MMTK_dynamics.c: In function 'integrateVV':
+   Src/MMTK_dynamics.c:991:7: warning: 'pdata' may be used uninitialized in this function [-Wuninitialized]
+   Src/MMTK_dynamics.c:413:12: warning: 'const_vect' may be used uninitialized in this function [-Wuninitialized]
+   Src/MMTK_dynamics.c:694:34: warning: 'b_tau' may be used uninitialized in this function [-Wuninitialized]
+   Src/MMTK_dynamics.c:641:16: warning: 't_temp' may be used uninitialized in this function [-Wuninitialized]
+
+ - gcc: Src/MMTK_minimization.c
+   Src/MMTK_minimization.c: In function 'initMMTK_minimization':
+   Src/MMTK_minimization.c:562:13: warning: variable 'm' set but not used [-Wunused-but-set-variable]
+   Src/MMTK_minimization.c: At top level:
+   /usr/include/python2.7/Scientific/netcdfmodule.h:262:15: warning: 'PyNetCDF_API' defined but not used [-Wunused-variable]
+   Src/MMTK_minimization.c: In function 'conjugateGradient':
+   Src/MMTK_minimization.c:539:28: warning: 'i' may be used uninitialized in this function [-Wuninitialized]
+   Src/MMTK_minimization.c: In function 'steepestDescent':
+   Src/MMTK_minimization.c:241:8: warning: 'min_norm' may be used uninitialized in this function [-Wuninitialized]
+   Src/MMTK_minimization.c:240:19: warning: 'min_energy' may be used uninitialized in this function [-Wuninitialized]
+
+ - Src/MMTK_surface.c: In function 'nbor_data_1_atom':
+   Src/MMTK_surface.c:130:14: warning: variable 'n_atoms' set but not used [-Wunused-but-set-variable]
+   Src/MMTK_surface.c: In function 'FindNeighbors':
+   Src/MMTK_surface.c:408:7: warning: variable 'num_nbors' set but not used [-Wunused-but-set-variable]
+   Src/MMTK_surface.c: In function 'initMMTK_surface':
+   Src/MMTK_surface.c:660:13: warning: variable 'm' set but not used [-Wunused-but-set-variable]
+   Src/MMTK_surface.c: At top level:
+   /usr/lib/pymodules/python2.7/numpy/core/include/numpy/__multiarray_api.h:1187:1: warning: '_import_array' defined but not used [-Wunused-function]
+
+ - gcc: Src/MMTK_universe.c
+   Src/MMTK_universe.c:20:1: warning: "/*" within comment [-Wcomment]
+   Src/MMTK_universe.c: In function 'PyUniverseSpec_StateLock':
+   Src/MMTK_universe.c:525:7: warning: variable 'id' set but not used [-Wunused-but-set-variable]
+   Src/MMTK_universe.c: In function 'configuration_change_lock_py':
+   Src/MMTK_universe.c:710:3: warning: 'success' may be used uninitialized in this function [-Wuninitialized]
\ No newline at end of file

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