[gmx-users] doubt about OpenMM

Thales Kronenberger kronenberger7 at gmail.com
Mon Apr 30 19:32:42 CEST 2012


Hi

I trying to install the OpenMM to so run gromacs using GPU, but when I set
the locals variables and type: "sudo ./install.sh"

It's says:

SUDO_USER=laboratorio24
PWD=/home/laboratorio24/OpenMM4.0-Linux64/python
  File "setup.py", line 165
    print "%s" % outputString
             ^
SyntaxError: invalid syntax
INSTALLATION FAILED

and when I tryed with another version of python:

"running build
running build_py
running build_ext
building 'simtk.openmm._openmm' extension
gcc -pthread -fno-strict-aliasing -DNDEBUG -g -fwrapv -O2 -Wall
-Wstrict-prototypes -fPIC -DMAJOR_VERSION=4 -DMINOR_VERSION=0
-I/usr/local/openmm/include -I/usr/include/python2.6 -c
src/swig_doxygen/OpenMMSwig.cxx -o
build/temp.linux-x86_64-2.6/src/swig_doxygen/OpenMMSwig.o
cc1plus: warning: command line option "-Wstrict-prototypes" is valid for
Ada/C/ObjC but not for C++
src/swig_doxygen/OpenMMSwig.cxx:149:20: error: Python.h: No such file or
directory
src/swig_doxygen/OpenMMSwig.cxx:2838:4: error: #error "This python version
requires swig to be run with the '-classic' option"
src/swig_doxygen/OpenMMSwig.cxx:780: error: ‘PyObject’ was not declared in
this scope
src/swig_doxygen/OpenMMSwig.cxx:780: error: ‘str’ was not declared in this
scope
src/swig_doxygen/OpenMMSwig.cxx:781: error: expected ‘,’ or ‘;’ before ‘{’
token
src/swig_doxygen/OpenMMSwig.cxx:804: error: expected initializer before ‘*’
token
src/swig_doxygen/OpenMMSwig.cxx:830: error: expected initializer before ‘*’
token
src/swig_doxygen/OpenMMSwig.cxx:884: error: expected initializer before ‘*’
token
src/swig_doxygen/OpenMMSwig.cxx:905: error: expected initializer before ‘*’
token
In file included from /usr/include/c++/4.4/stdexcept:38,
                 from src/swig_doxygen/OpenMMSwig.cxx:2862:
/usr/include/c++/4.4/exception:35: error: expected declaration before end
of line
error: command 'gcc' failed with exit status 1
INSTALLATION FAILED
"

The problem is really python?
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