# Based on https://github.com/pybind/cmake_example import os import re import sys import platform import subprocess import shutil import re import timeit from setuptools import setup, Extension from setuptools.command.build_ext import build_ext from distutils.version import LooseVersion # VERSION is now read from teqpversion.hpp header file match = re.search(r'TEQPVERSION = \"([0-9a-z.]+)\"\;', open('interface/teqpversion.hpp').read()) if match: VERSION = match.group(1) else: raise ValueError("Unable to parse version string from interface/teqpversion.hpp") here = os.path.dirname(os.path.abspath(__file__)) tic = timeit.default_timer() class CMakeExtension(Extension): def __init__(self, name, sourcedir=''): Extension.__init__(self, name, sources=[]) self.sourcedir = os.path.abspath(sourcedir) class CMakeBuild(build_ext): def run(self): try: out = subprocess.check_output(['cmake', '--version']) except OSError: raise RuntimeError("CMake must be installed to build the following extensions: " + ", ".join(e.name for e in self.extensions)) if platform.system() == "Windows": cmake_version = LooseVersion(re.search(r'version\s*([\d.]+)', out.decode()).group(1)) if cmake_version < '3.1.0': raise RuntimeError("CMake >= 3.1.0 is required on Windows") for ext in self.extensions: self.build_extension(ext) def build_extension(self, ext): extdir = os.path.abspath(os.path.dirname(self.get_ext_fullpath(ext.name))) cmake_args = ['-DCMAKE_LIBRARY_OUTPUT_DIRECTORY=' + extdir, '-DPYTHON_EXECUTABLE=' + sys.executable] cfg = 'Debug' if self.debug else 'Release' build_args = ['--config', cfg] if platform.system() == "Windows": cmake_args += ['-DCMAKE_LIBRARY_OUTPUT_DIRECTORY_{}={}'.format(cfg.upper(), extdir)] cmake_args += ['-T ClangCL'] if sys.maxsize > 2**32: cmake_args += ['-A', 'x64'] build_args += ['--', '/m'] else: cmake_args += ['-DCMAKE_BUILD_TYPE=' + cfg] build_args += ['--', '-j2'] env = os.environ.copy() env['CXXFLAGS'] = '{} -DVERSION_INFO=\\"{}\\"'.format(env.get('CXXFLAGS', ''), self.distribution.get_version()) if not os.path.exists(self.build_temp): os.makedirs(self.build_temp) # Config cmake_elements = ['cmake', ext.sourcedir] + cmake_args print('cmake config command:', ' '.join(cmake_elements)) print('running from:', self.build_temp) subprocess.check_call(cmake_elements, cwd=self.build_temp, env=env) # Build build_elements = ['cmake', '--build', '.', '--target', 'teqp'] + build_args print('cmake build command:', ' '.join(build_elements)) subprocess.check_call(build_elements, cwd=self.build_temp) init_template = r'''import os, warnings, functools # Bring all entities from the extension module into this namespace from .teqp import * from .teqp import _make_model def get_datapath(): """Get the absolute path to the folder containing the root of multi-fluid data""" return os.path.abspath(os.path.dirname(__file__)+"/fluiddata") from .teqp import __version__ deprecated_top_level_functions = ["get_splus","get_pr","get_B2vir""get_B12vir","pure_VLE_T","extrapolate_from_critical","build_Psir_Hessian_autodiff","build_Psi_Hessian_autodiff","build_Psir_gradient_autodiff","build_d2PsirdTdrhoi_autodiff","get_chempotVLE_autodiff","get_dchempotdT_autodiff","get_fugacity_coefficients","get_partial_molar_volumes","trace_critical_arclength_binary","get_criticality_conditions","eigen_problem","get_minimum_eigenvalue_Psi_Hessian","get_drhovec_dT_crit","get_pure_critical_conditions_Jacobian","solve_pure_critical","mix_VLE_Tx","mixture_VLE_px","get_drhovecdp_Tsat","trace_VLE_isotherm_binary","get_drhovecdT_psat","trace_VLE_isobar_binary","get_dpsat_dTsat_isopleth","mix_VLLE_T","find_VLLE_T_binary"] def deprecated_caller(model, *args, **kwargs): name = kwargs.pop('name123456') warnings.warn("Calling the top-level function " + name + " is deprecated and much slower than calling the same-named method of the model instance", FutureWarning) return getattr(model, name)(*args, **kwargs) for f in deprecated_top_level_functions: globals()[f] = functools.partial(deprecated_caller, name123456=f) # for factory_function in ['_make_vdW1']: def tolist(a): if isinstance(a, list): return a else: try: return a.tolist() except: return a def make_vdW1(a, b): AS = _make_model({"kind": "vdW1", "model": {"a": a, "b": b}}) attach_model_specific_methods(AS) return AS def vdWEOS1(*args): return make_vdW1(*args) def make_model(*args): AS = _make_model(*args) attach_model_specific_methods(AS) return AS def canonical_PR(Tc_K, pc_Pa, acentric, kmat=[]): j = { "kind": "PR", "model": { "Tcrit / K": tolist(Tc_K), "pcrit / Pa": tolist(pc_Pa), "acentric": tolist(acentric), "kmat": tolist(kmat) } } return make_model(j) def canonical_SRK(Tc_K, pc_Pa, acentric, kmat=[]): j = { "kind": "SRK", "model": { "Tcrit / K": tolist(Tc_K), "pcrit / Pa": tolist(pc_Pa), "acentric": tolist(acentric), "kmat": tolist(kmat) } } return make_model(j) def CPAfactory(spec): j = { "kind": "CPA", "model": spec } return make_model(j) def PCSAFTEOS(names_or_coeffs, kmat = []): if isinstance(names_or_coeffs[0], SAFTCoeffs): coeffs = [] for c in names_or_coeffs: coeffs.append({ 'name': c.name, 'm': c.m, 'sigma_Angstrom': c.sigma_Angstrom, 'epsilon_over_k': c.epsilon_over_k, 'BibTeXKey': c.BibTeXKey }) spec = {'coeffs': coeffs, 'kmat': tolist(kmat)} else: spec = {'names': names_or_coeffs, 'kmat': tolist(kmat)} j = { "kind": "PCSAFT", "model": spec } return make_model(j) def AmmoniaWaterTillnerRoth(): return make_model({"kind": "AmmoniaWaterTillnerRoth", "model": {}}) def build_LJ126_TholJPCRD2016(): return make_model({"kind": "LJ126_TholJPCRD2016", "model": {}}) ''' def prepare(): # Package up the fluid data files for the multi-fluid # model if os.path.exists('teqp'): shutil.rmtree('teqp') os.makedirs('teqp') shutil.copytree('mycp','teqp/fluiddata') # Make a temporary MANIFEST.in to avoid polluting the repository # since it only contains one line with open('MANIFEST.in','w') as fp: fp.write('recursive-include teqp *.json') with open('teqp/__init__.py', 'w') as fp: fp.write(init_template) def teardown(): shutil.rmtree('teqp') os.remove('MANIFEST.in') try: prepare() setup( name='teqp', version=VERSION, author='Ian Bell and friends', author_email='ian.bell@nist.gov', description='Templated EQuation of state Package', long_description='', ext_modules=[CMakeExtension('teqp.teqp')], # teqp.teqp is the extension module that lives inside the teqp package packages=['teqp'], include_package_data=True, cmdclass=dict(build_ext=CMakeBuild), zip_safe=False, ) finally: teardown() toc = timeit.default_timer() print('elapsed:', toc-tic, 'seconds')