simtk.org

Dear all,
I'd tried to compile OpenMM4.0 in my computer that has a GeForce 8400 GS with NVIDIA-SMI 3.295.20 Driver Version: 295.20 and CUDA installed. When I try to install py-dom-xpath using the python version 2.6 this was not succesfull (command line: python setup.py install). Alternatively, I tried install xpath using Active Python and it was right (command line: pypm install py-dom-xpath //skipping "py-dom-xpath"; already installed at "~/.local" (2.7)).
Now my problem is how to "point" OpenMM ccmake to see the directory where the xpath is installed. Has anybody some answers to help me?
Thanks in advance,
Samuel Pita.

Hi Samuel,

When you say that installing xpath was "not successful", what do you mean? In what way did it not succeed? Was there an error? If so, what error?

If you're installing it into the system-wide python, you probably need to use the command

sudo python setup.py install

Peter

Thank you Peter,
but when I tried to install xpath through its command line (python setup.py install) this error comes:
/usr/lib/python2.6/distutils/dist.py:266: UserWarning: Unknown distribution option: 'test_suite'
warnings.warn(msg)
running install
running build
running build_py
Traceback (most recent call last):
File "setup.py", line 71, in <module>
test_suite='tests',
File "/usr/lib/python2.6/distutils/core.py", line 152, in setup
dist.run_commands()
File "/usr/lib/python2.6/distutils/dist.py", line 975, in run_commands
self.run_command(cmd)
File "/usr/lib/python2.6/distutils/dist.py", line 995, in run_command
cmd_obj.run()
File "/usr/lib/python2.6/distutils/command/install.py", line 615, in run
self.run_command('build')
File "/usr/lib/python2.6/distutils/cmd.py", line 333, in run_command
self.distribution.run_command(command)
File "/usr/lib/python2.6/distutils/dist.py", line 995, in run_command
cmd_obj.run()
File "/usr/lib/python2.6/distutils/command/build.py", line 135, in run
self.run_command(cmd_name)
File "/usr/lib/python2.6/distutils/cmd.py", line 333, in run_command
self.distribution.run_command(command)
File "/usr/lib/python2.6/distutils/dist.py", line 994, in run_command
cmd_obj.ensure_finalized()
File "/usr/lib/python2.6/distutils/cmd.py", line 117, in ensure_finalized
self.finalize_options()
File "/home/samuel/Desktop/py-dom-xpath-0.1/setuptools-0.6c9-py2.6.egg/setuptools/command/build_py.py", line 18, in finalize_options
AttributeError: Distribution instance has no attribute 'exclude_package_data'

Also when I execute with root permission (sudo) the error message always is the same above. I've been trying to install xpath on a Ubuntu10.04 running in a Quad core with a GeForce 8400 GS with NVIDIA-SMI 3.295.20 Driver Version: 295.20 and CUDA installed. My objective is compile OpenMM4.0 in this computer.
Thanks,
Samuel Pita.

Hi Samuel,

I've done some web research on your error message. I think (though I'm not at all certain of it), that it's caused by having installed setuptools, which alters aspects of how packages get installed. Have you in fact installed that? If so, could you try removing it and see if xpath's installer then works correctly?

The good news: the next version of OpenMM will no longer require xpath. I'm trying to simplify the installation process, but it's a long term project.

Peter