Intended Audience :: Science/Research Intended Audience :: Developers License :: OSI Approved :: GNU Lesser General Public License v2 or later (LGPLv2+) Programming Language :: C Programming Language :: Python Programming Language :: Python :: 3 Topic :: Scientific/Engineering :: Bio-Informatics Topic :: Scientific/Engineering :: Chemistry Operating System :: Microsoft :: Windows Operating System :: POSIX Operating System :: Unix Operating System :: MacOS """ # Global info about compiler compiler = CompilerDetection(disable_openmp) compiler.initialize() extra_cpp_libraries = [] if sys.platform == 'win32': extra_cpp_libraries.append('Ws2_32') # For determining if a path is relative (for dtr) extra_cpp_libraries.append('Shlwapi') ################################################################################ # Declaration of the compiled extension modules (cython + c) ################################################################################ def format_extensions():
Intended Audience :: Science/Research Intended Audience :: Developers License :: OSI Approved :: GNU Lesser General Public License v2 or later (LGPLv2+) Programming Language :: C Programming Language :: Python Programming Language :: Python :: 3 Topic :: Scientific/Engineering :: Bio-Informatics Topic :: Scientific/Engineering :: Chemistry Operating System :: Microsoft :: Windows Operating System :: POSIX Operating System :: Unix Operating System :: MacOS """ # Global info about compiler compiler = CompilerDetection(disable_openmp) extra_cpp_libraries = [] if sys.platform == 'darwin': extra_cpp_libraries.append('stdc++') if sys.platform == 'win32': extra_cpp_libraries.append('Ws2_32') # For determining if a path is relative (for dtr) extra_cpp_libraries.append('Shlwapi') ################################################################################ # Declaration of the compiled extension modules (cython + c) ################################################################################ xtc = Extension('mdtraj.formats.xtc', sources=[
Intended Audience :: Science/Research Intended Audience :: Developers License :: OSI Approved :: GNU Lesser General Public License v2 or later (LGPLv2+) Programming Language :: C Programming Language :: Python Programming Language :: Python :: 3 Topic :: Scientific/Engineering :: Bio-Informatics Topic :: Scientific/Engineering :: Chemistry Operating System :: Microsoft :: Windows Operating System :: POSIX Operating System :: Unix Operating System :: MacOS """ # Global info about compiler compiler = CompilerDetection(disable_openmp) compiler.initialize() extra_cpp_libraries = [] if sys.platform == 'win32': extra_cpp_libraries.append('Ws2_32') # For determining if a path is relative (for dtr) extra_cpp_libraries.append('Shlwapi') ################################################################################ # Declaration of the compiled extension modules (cython + c) ################################################################################ def format_extensions():
('numpy', ), ('scipy', ), ('pandas', ), ('six', ), ('mdtraj', ), ('sklearn', 'scikit-learn'), ('numpydoc', ), ('tables', 'pytables'), )) # Where to find extensions MSMDIR = 'msmbuilder/msm/' HMMDIR = 'msmbuilder/hmm/' CLUSTERDIR = 'msmbuilder/cluster/' compiler = CompilerDetection(DISABLE_OPENMP) with open('msmbuilder/src/config.pxi', 'w') as f: f.write(''' DEF DEBUG = {debug} DEF OPENMP = {openmp} '''.format(openmp=compiler.openmp_enabled, debug=DEBUG)) extensions = [] extensions.append( Extension('msmbuilder.example_datasets._muller', sources=[pjoin('msmbuilder', 'example_datasets', '_muller.pyx')], include_dirs=[np.get_include()])) extensions.append( Extension('msmbuilder.msm._markovstatemodel', sources=[
# )) ## NOTE: now the kind of good stuff. This is for building all their ## fancy code they use. For now we will rip out anything that is ## annoying to build and we don't need it. ## DEBUG # Where to find extensions MSMDIR = 'msmbuilder/msm/' HMMDIR = 'msmbuilder/hmm/' CLUSTERDIR = 'msmbuilder/cluster/' # # compiler = CompilerDetection(DISABLE_OPENMP) compiler = CompilerDetection(True) with open('msmbuilder/src/config.pxi', 'w') as f: f.write(''' DEF DEBUG = {debug} DEF OPENMP = {openmp} '''.format(openmp=compiler.openmp_enabled, debug=False)) extensions = [] extensions.append( Extension('msmbuilder.example_datasets._muller', sources=[pjoin('msmbuilder', 'example_datasets', '_muller.pyx')], include_dirs=[np.get_include()])) extensions.append( Extension('msmbuilder.msm._markovstatemodel', sources=[