from distutils.command.build import build as _build import os import sys import shutil import errno import tempfile import subprocess import glob import re import fnmatch try: from setuptools import setup, Extension except ImportError: from distutils.core import setup from distutils.extension import Extension del os.link #solve hardlinking problem when using NTFS drive script_dir = os.path.dirname(os.path.realpath(__file__)) start_working_dir = os.getcwd() temp_dir = tempfile.gettempdir() def _print_error(msg): sys.stderr.write("\n\n" + error_color_start + "ERROR: " + msg + color_end + " \n\n\n ") sys.stderr.flush() def get_version(): VERSIONFILE = os.path.join(os.path.dirname(os.path.abspath(__file__)),"spintrum/meta.py") verstrline = open(VERSIONFILE, "rt").read() VSRE = r"^__version__ = ['\"]([^'\"]*)['\"]" mo = re.search(VSRE, verstrline, re.M) if mo: return str(mo.group(1)) else: raise RuntimeError("Unable to find version string in %s." % (VERSIONFILE,)) def which(program): """ Checks if a program exists, and returns its path :param program: global program name :return: program path if it exists, otherwise None """ import os def is_exe(fpath): return os.path.isfile(fpath) and os.access(fpath, os.X_OK) fpath, fname = os.path.split(program) if fpath: if is_exe(program): return program else: for path in os.environ["PATH"].split(os.pathsep): path = path.strip('"') exe_file = os.path.join(path, program) if is_exe(exe_file): return exe_file return None def check_programs_availability(list_of_programs): for prog in list_of_programs: if which(prog) is None: _print_error("The required program " + prog + " was not found in the global scope (in PATH). Please install it. Exiting...") sys.exit(1) print("All required programs were found to be installed. Proceeding with building and installation.") def mkdir_p(path): try: os.makedirs(path) except OSError as exc: if exc.errno == errno.EEXIST and os.path.isdir(path): pass else: raise def deal_with_error_code(err_code, operation_name): if err_code != 0: _print_error("A non-zero error code was returned at operation: " + str(operation_name) + ". Code returned is: " + str(err_code) + ". Exiting!") sys.exit(1) def inplace_change(filename, old_string, new_string): # Safely read the input filename using 'with' with open(filename) as f: s = f.read() if old_string not in s: print('"{old_string}" not found in {filename}.'.format(**locals())) return # Safely write the changed content, if found in the file with open(filename, 'w') as f: print('Changing "{old_string}" to "{new_string}" in {filename}'.format(**locals())) s = s.replace(old_string, new_string) f.write(s) def clone_git_repository(dir, repos_link): try: shutil.rmtree(dir) except FileNotFoundError: pass mkdir_p(dir) print("Cloning repository: " + repos_link + "...") err_code = subprocess.call(["git clone " + repos_link + " " + dir], shell=True) deal_with_error_code(err_code, "Cloning: " + repos_link) print("Done cloning repository: " + repos_link) question_color_start = "\x1b[0;37;44m" error_color_start = "\x1b[0;37;41m" color_end = "\x1b[0m" def ask_openblas_optimization_level(): print("\n") print(question_color_start + "Which optimization option would you like to use to compile OpenBLAS?" + color_end) print("For more information on what the options mean, please visit:") print("https://gcc.gnu.org/onlinedocs/gcc/Optimize-Options.html") print("1) -O2") print("2) -O3") print("3) -Ofast") print("4) Keep the default") print("5) Skip compiling OpenBLAS and assume it exists in the system") print(question_color_start + "Please enter the option number: " + color_end) sys.stdout.flush() sys.stderr.flush() option_chosen = input() if option_chosen.replace(" ", "") == '1': return "-O2" elif option_chosen.replace(" ", "") == '2': return "-O3" elif option_chosen.replace(" ", "") == '3': return "-Ofast" elif option_chosen.replace(" ", "") == '4': return "" elif option_chosen.replace(" ", "") == '5': return "SKIPOPENBLAS" else: raise IndexError(error_color_start + "Error: An unknown option was entered" + color_end) def ask_spintrum_optimization_level(): print("\n") print(question_color_start + "Which optimization option would you like to use to compile Spintrum?" + color_end) print("For more information on what the options mean, please visit:") print("https://gcc.gnu.org/onlinedocs/gcc/Optimize-Options.html") print("1) -g") print("2) -O1") print("3) -O2") print("4) -O3") print("5) -Ofast") print(question_color_start + "Please enter the option number: " + color_end) sys.stdout.flush() sys.stderr.flush() option_chosen = input("") if option_chosen.replace(" ", "") == '1': return "-g" elif option_chosen.replace(" ", "") == '2': return "-O1" elif option_chosen.replace(" ", "") == '3': return "-O2" elif option_chosen.replace(" ", "") == '4': return "-O3" elif option_chosen.replace(" ", "") == '5': return "-Ofast" else: raise IndexError(error_color_start + "Error: An unknown option was entered" + color_end) def recursive_glob(rootdir, pattern='*'): lst = [os.path.join(looproot, filename) for looproot, _, filenames in os.walk(rootdir) for filename in filenames if fnmatch.fnmatch(filename, pattern)] return list(lst) def get_openblas(): openblas_dir = "3rdparty/OpenBLAS" openblas_dir_install = "spintrum/OpenBLAS_install" openblas_full_path = os.path.join(start_working_dir, openblas_dir) openblas_full_path_install = os.path.join(start_working_dir, openblas_dir_install) openblas_git = "https://github.com/xianyi/OpenBLAS.git" # openblas_target_optimization = ask_openblas_optimization_level() openblas_target_optimization = "-Ofast" if openblas_target_optimization != "SKIPOPENBLAS": clone_git_repository(openblas_full_path, openblas_git) if openblas_target_optimization != "": if not os.path.isdir(openblas_dir): _print_error("Cannot open expected OpenBLAS directory " + openblas_dir) sys.exit(1) makefiles_to_glob = os.path.join(openblas_dir, "Makefile*") makefiles = glob.glob(makefiles_to_glob) print("Number of files found: " + str(len(makefiles))) for f in makefiles: print(f) inplace_change(f, "-O2", openblas_target_optimization) # make openblas os.chdir(openblas_dir) make_openblas_err_code = subprocess.call(["make"], shell=True) deal_with_error_code(make_openblas_err_code, "Making OpenBLAS") # install openblas install_openblas_err_code = subprocess.call( ["make PREFIX=" + openblas_full_path_install + " install"], shell=True) deal_with_error_code(install_openblas_err_code, "Installing OpenBLAS") os.chdir(start_working_dir) # restore working dir dir_name = "spintrum" lib_file = "lib/libspintrum.so" class DependenciesBuilder(_build): def run(self): sys.stdout.flush() sys.stderr.flush() if sys.platform.startswith('win'): _print_error("You cannot build Spintrum on Windows. It is not supported.") check_programs_availability(["cmake","make","g++","gcc","gfortran","git","python3"]) print("Building Spintrum C/C++ extension prerequisites") get_openblas() ############## get Polymath polymath_git = "https://git.afach.de/samerafach/Polymath" polymath_dir = "3rdparty/Polymath" polymath_full_path = os.path.join(start_working_dir, polymath_dir) clone_git_repository(polymath_full_path, polymath_git) ############## build spintrum # spintrum_optimization_target = ask_spintrum_optimization_level() spintrum_optimization_target = "-Ofast" print("Building Spintrum extension...") err_code = subprocess.call(["cmake . -DPythonInstallation=1 -DOptimizationLevel=" + spintrum_optimization_target], shell=True) deal_with_error_code(err_code, "CMaking spintrum") err_code = subprocess.call(["make"], shell=True) deal_with_error_code(err_code, "Making spintrum") print("Done building spintrum extension.") setup(name='spintrum', version=get_version(), description='Software for spin systems simulation', url='http://www.afach.de/', author='Samer Afach', author_email='samer@afach.de', license='Dual', packages=['spintrum'], package_data={'spintrum': [lib_file] + recursive_glob("examples")}, install_requires=['numpy', 'mpmath'], python_requires = '>=3.3', include_package_data=True, # enable including files with MANIFEST.in zip_safe=False, cmdclass=dict(build=DependenciesBuilder) )