"""
setup.py: Install msmbuilder.  
"""
VERSION=205
__author__ = "Kyle A. Beauchamp"
__version__ = "%d"%VERSION

import os, sys
from distutils.core import setup,Extension
import numpy
import glob

requirements = ['scipy', 'numpy', 'matplotlib', 'deap', 'fastcluster']

# Declare the C extension modules
XTC = Extension('Emsmbuilder/libxdrfile',
                  sources = [
                    "src/ext/xdrfile-1.1b/src/trr2xtc.c",
                    "src/ext/xdrfile-1.1b/src/xdrfile.c",
                    "src/ext/xdrfile-1.1b/src/xdrfile_trr.c",
                    "src/ext/xdrfile-1.1b/src/xdrfile_xtc.c",
                            ],
                  extra_compile_args=[],
                  extra_link_args=["--enable-shared"],
                  include_dirs = ["src/ext/xdrfile-1.1b/include/"]
                  )
DCD = Extension('Emsmbuilder/dcdplugin_s',
                sources = [ "src/ext/molfile_plugin/dcdplugin_s.c" ],
                libraries=['m'],
                include_dirs = ["src/ext/molfile_plugin/include/",
                                "src/ext/molfile_plugin"]
                )
IRMSD = Extension('Emsmbuilder/_rmsdcalc',
                  sources = ["src/ext/IRMSD/theobald_rmsd.c",
                             "src/ext/IRMSD/rmsd_numpy_array.c"],
                  extra_compile_args=["-std=c99","-O2","-shared","-msse2","-msse3","-fopenmp"],
                  extra_link_args=['-lgomp'],
                  include_dirs = [numpy.get_include(), os.path.join(numpy.get_include(), 'numpy')]
                  )
DISTANCE = Extension('Emsmbuilder/_distance_wrap',
                      sources = ["src/ext/scipy_distance/distance.c",
                                 "src/ext/scipy_distance/distance_wrap.c"],
                      extra_compile_args=["-std=c99","-O3","-shared","-msse2",
                                          "-msse3","-fopenmp", "-Wall"],
                      extra_link_args=['-lgomp'],
                      include_dirs = [numpy.get_include(), os.path.join(numpy.get_include(), 'numpy')])
DIHEDRAL = Extension('Emsmbuilder/_dihedral_wrap',
                     sources = ["src/ext/dihedral/dihedral.c",
                                "src/ext/dihedral/dihedral_wrap.c"],
                     extra_compile_args=["-std=c99","-O3","-shared",
                                         "-fopenmp", "-Wall"],
                     extra_link_args=['-lgomp'],
                     include_dirs = [numpy.get_include(), os.path.join(numpy.get_include(), 'numpy')])
CONTACT = Extension('Emsmbuilder/_contact_wrap',
                    sources = ["src/ext/contact/contact.c",
                               "src/ext/contact/contact_wrap.c"],
                    extra_compile_args=["-std=c99","-O3","-shared",
                                        "-fopenmp", "-Wall"],
                    extra_link_args=['-lgomp'],
                    include_dirs = [numpy.get_include(), os.path.join(numpy.get_include(), 'numpy')])
RG = Extension('Emsmbuilder/_rg_wrap',
               sources = ["src/ext/rg/rg.c",
                          "src/ext/rg/rg_wrap.c"],
               extra_compile_args=["-std=c99","-O3","-shared",
                                   "-fopenmp", "-Wall"],
               extra_link_args=['-lgomp'],
               include_dirs = [numpy.get_include(), os.path.join(numpy.get_include(), 'numpy')])


def buildKeywordDictionary():
    from distutils.core import Extension
    setupKeywords = {}
    setupKeywords["name"]              = "Emsmbuilder"
    setupKeywords["version"]           = "%d" %VERSION
    setupKeywords["author"]            = "Kyle A. Beauchamp"
    setupKeywords["author_email"]      = "kyleb@stanford.edu"
    setupKeywords["license"]           = "GPL 3.0"
    setupKeywords["url"]               = "https://simtk.org/home/msmbuilder"
    setupKeywords["download_url"]      = "https://simtk.org/home/msmbuilder"
    setupKeywords["packages"]          = ["Emsmbuilder",
                                          "Emsmbuilder.scripts",
                                          "Emsmbuilder.geometry"]
    setupKeywords["package_dir"]       = {"Emsmbuilder": "src/python",
                                          "Emsmbuilder.scripts": "scripts/"}
    setupKeywords["scripts"]           = glob.glob("scripts/*.py")
    setupKeywords["package_data"]      = {
        "msmbuilder"                   : ["AUTHORS","COPYING"]
                                         }
    setupKeywords["data_files"]        = []
    setupKeywords["ext_modules"]       = [IRMSD, XTC, DCD, DISTANCE, DIHEDRAL, CONTACT, RG]
    setupKeywords["platforms"]         = ["Linux", "Mac OS X", "Windows"]
    setupKeywords["description"]       = "Python Code for Building Markov State Models."
    setupKeywords["long_description"]  = """
    MSMBuilder (https://simtk.org/home/msmbuilder) is a library
    that provides tools for analyzing molecular dynamics simulations, particularly through the construction
    of Markov state models for conformational dynamics.  
    """
    outputString=""
    firstTab     = 40
    secondTab    = 60
    for key in sorted( setupKeywords.iterkeys() ):
         value         = setupKeywords[key]
         outputString += key.rjust(firstTab) + str( value ).rjust(secondTab) + "\n"
    
    print "%s" % outputString

    return setupKeywords
    

def main():
    setupKeywords=buildKeywordDictionary()
    setup(**setupKeywords)
    for requirement in requirements:
      try:
          exec('import %s' % requirement)
      except ImportError as e:
          print >> sys.stderr, '\nWarning: Could not import %s' % e
          print >> sys.stderr, 'Warning: Some package functionality many not work'

if __name__ == '__main__':
    main()