Spintrum/setup.py

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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):
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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:
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_print_error("A non-zero error code was returned at operation: " +
str(operation_name) + ". Code returned is: " +
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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)
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question_color_start = "\x1b[0;37;44m"
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error_color_start = "\x1b[0;37;41m"
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color_end = "\x1b[0m"
def ask_openblas_optimization_level():
print("\n")
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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")
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print(question_color_start + "Please enter the option number: " + color_end)
sys.stdout.flush()
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sys.stderr.flush()
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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:
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raise IndexError(error_color_start + "Error: An unknown option was entered" + color_end)
def ask_spintrum_optimization_level():
print("\n")
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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")
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print(question_color_start + "Please enter the option number: " + color_end)
sys.stdout.flush()
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sys.stderr.flush()
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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:
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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)
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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"
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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):
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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")
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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"
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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")
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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='MPL',
packages=['spintrum'],
package_data={'spintrum': [lib_file] + recursive_glob("examples")},
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install_requires=['numpy', 'mpmath'],
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python_requires = '>=3.3',
include_package_data=True, # enable including files with MANIFEST.in
zip_safe=False,
cmdclass=dict(build=DependenciesBuilder)
)