#/* +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ # Copyright (c) 2011-2016 The plumed team # (see the PEOPLE file at the root of the distribution for a list of names) # # See http://www.plumed.org for more information. # # This file is part of plumed, version 2. # # plumed is free software: you can redistribute it and/or modify # it under the terms of the GNU Lesser General Public License as published by # the Free Software Foundation, either version 3 of the License, or # (at your option) any later version. # # plumed is distributed in the hope that it will be useful, # but WITHOUT ANY WARRANTY; without even the implied warranty of # MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the # GNU Lesser General Public License for more details. # # You should have received a copy of the GNU Lesser General Public License # along with plumed. If not, see <http://www.gnu.org/licenses/>. #+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ */ # # This python routine builds an interface between plumed and python using cython # from distutils.core import setup from distutils.extension import Extension from Cython.Build import cythonize import numpy import subprocess import os # Function for checking if PLUMED is in path def is_exe(fpath): return os.path.isfile(fpath) and os.access(fpath, os.X_OK) plumedexe=os.environ["plumedexe"] plumedversion = subprocess.check_output([plumedexe, 'info', '--version']).decode("utf-8") print( "Version number for this plumed is " + plumedversion ) print( "Building interface using CC=" + os.environ["CC"] + " , CXX=" + os.environ["CXX"] + " and LDSHARED=" + os.environ["LDSHARED"] ) setup( name='plumed', version=plumedversion, description='Python interface to PLUMED', author='Gareth A. Tribello', author_email='plumed-users@googlegroups.com', url='http://www.plumed.org', ext_modules = cythonize([ Extension( name="plumed", sources=["plumed.pyx"], library_dirs=[os.environ["lib_dir"]], libraries=[os.environ["program_name"]], language="c++", include_dirs=[os.environ["include_dir"], numpy.get_include()] ) ]) )