VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Mon Feb 27 2012 - 13:33:18 CST

On Mon, Feb 27, 2012 at 1:15 PM, Haw-Zan Goh <hgoh_at_andrew.cmu.edu> wrote:
> Dear all, I would like to control vmd by using python (modules 'vmdnumpy'
> etc). From previous thread, I know I need to change the default Python
> include and linkage paths in the 'configure' script. I want to install
> vmd1.9.1 and I have python2.5.6 in /usr/local/lib/python2.5. The problem is
> that I do not know which line should I change in the configure script to

not only that, you need to compile VMD and its prerequisites
from scratch. just follow the instructions and it will become
clear what you have to do for python, which is just one part
of the prerequisites.

axel.

> make it work. The configure script is the following: ################### #
> OPTIONAL COMPONENT: Python support ################### # location of Python
> library and include file. # If left blank, standard system directories will
> be searched. #$stock_python_include_dir=$ENV{"PYTHON_INCLUDE_DIR"} ||
> "/usr/local/include"; #$stock_python_library_dir=$ENV{"PYTHON_LIBRARY_DIR"}
> || "/usr/local/lib"; $stock_python_include_dir=$ENV{"PYTHON_INCLUDE_DIR"} ||
> "$vmd_library_dir/python/lib_$config_arch/include/python2.5";
> $stock_python_library_dir=$ENV{"PYTHON_LIBRARY_DIR"} ||
> "$vmd_library_dir/python/lib_$config_arch/lib/python2.5/config";
> #$stock_numpy_include_dir=$ENV{"NUMPY_INCLUDE_DIR"} || "/usr/local/include";
> #$stock_numpy_library_dir=$ENV{"NUMPY_LIBRARY_DIR"} || "/usr/local/lib";
> $stock_numpy_include_dir=$ENV{"NUMPY_INCLUDE_DIR"} ||
> "$vmd_library_dir/numpy/lib_$config_arch/include";
> $stock_numpy_library_dir=$ENV{"NUMPY_LIBRARY_DIR"} ||
> "$vmd_library_dir/python/lib_$config_arch/lib/python2.5/site-packages/numpy/core/include";
> $python_defines = "-DVMDPYTHON"; $python_include =
> "-I$stock_python_include_dir -I$stock_numpy_include_dir
> -I$stock_numpy_library_dir"; $python_library =
> "-L$stock_python_library_dir"; $python_libs = "-lpython2.5 -lpthread";
> @python_h = ('PythonTextInterp.h', 'VMDTkinterMenu.h', 'py_commands.h',
> 'py_molecule.h'); @python_ccpp = ('PythonTextInterp.C', 'VMDTkinterMenu.C',
> 'py_animate.C', 'py_atomsel.C', 'py_atomselection.C', 'py_axes.C',
> 'py_color.C', 'py_commands.C', 'py_display.C', 'py_graphics.C', 'py_imd.C',
> 'py_label.C', 'py_material.C', 'py_menu.C', 'py_molecule.C', 'py_molrep.C',
> 'py_mouse.C', 'py_render.C', 'py_trans.C', 'py_vmd.C'); ###################
> # OPTIONAL COMPONENT: Numeric Python extension # ################# # Numeric
> requires Python if ( $config_numeric && !$config_python) { die "NUMPY option
> requires PYTHON!"; } $numeric_defines = "-DVMDNUMPY"; $numeric_include = "";
> $numeric_library = ""; $numeric_libs = ""; @numeric_h = ""; @numeric_ccpp =
> ('py_numeric.C'); So could anyone tell me which line in the configure script
> should I change in order to make it work? Thanks you very much Best, Goh Haw
> Zan 

-- 
Dr. Axel Kohlmeyer
akohlmey_at_gmail.com  http://goo.gl/1wk0
College of Science and Technology
Temple University, Philadelphia PA, USA.