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compile_aRMSD.py, shortening
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Removed blank lines to group other lines together.  The
indentation errors (now at #1:1, 238:16 and 238:17 remain.
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@nbehrnd
nbehrnd committed Dec 7, 2018
1 parent 72ee0fc commit ccde27c
Showing 1 changed file with 0 additions and 45 deletions.
45 changes: 0 additions & 45 deletions compile_aRMSD.py
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Original file line number Diff line number Diff line change
Expand Up @@ -38,19 +38,16 @@ def pyinstaller_data(name, platform, obf_files):
hiddenimp = ['matplotlib', 'vtk', 'uncertainties']

if obf_files is not None: # Add pybel to hiddenimports

hiddenimp.append('openbabel')

# Extra data and binaries for PyInstaller
ext_bin = []

ext_dat = []

# Setup dictionary and return it
pyinst_dict = {'name': name, 'platform': platform,
'hiddenimports': hiddenimp, 'data_excludes': data_excl,
'binaries': ext_bin, 'extra_datas': ext_dat}

return pyinst_dict


Expand All @@ -62,7 +59,6 @@ def analyze_arguments(arguments):
'--cython_compiler', '--overwrite']

def _split(arg):

pos = arg.find('=')
prefix = arg[:pos]
suffix = arg[pos+1:]
Expand All @@ -77,39 +73,30 @@ def _split(arg):
overwrite = False

if len(arguments) != 0: # Arguments are given

for entry in arguments:

data = _split(entry)

if data[0] == '--use_cython':

use_cython = data[1]

elif data[0] == '--cython_compiler':

cython_compiler = data[1]

elif data[0] == '--use_openbabel':

use_openbabel = data[1]

elif data[0] == '--overwrite':

overwrite = data[1]

return use_openbabel, use_cython, cython_compiler, overwrite


def check_for_ext(pyx_file_path, ext, default):
""" Checks if a .pyx/.pyd file exists and returns the extension """

return ext if os.path.isfile(pyx_file_path+ext) else default


def check_for_pyd_so(file_path):
""" Checks if a file with .pyd or .so extension exists """

return True if os.path.isfile(file_path+'.pyd') or \
os.path.isfile(file_path+'.so') else False

Expand All @@ -122,9 +109,7 @@ def get_current_version(armsd_dir):
contents = open(armsd_dir+'\\aRMSD.py').readlines()

for index, line in enumerate(contents):

if '__aRMSD_version__' in line and len(line.split()) == 3:

version = eval(line.split()[-1])

# Let the program now that it is compiled:
Expand All @@ -139,15 +124,12 @@ def get_current_version(armsd_dir):
platform = 'Win'

elif sys.platform == 'darwin':

platform = 'Mac'

elif sys.platform == 'linux2':

platform = 'Lin'

else:

platform = 'Os'

# Second: 32 or 63 bit
Expand All @@ -158,13 +140,11 @@ def get_current_version(armsd_dir):
platform += '32'

name += '_{}_{}'.format(version, platform)

return name, platform


def has_module(mod, site_packages_path):
""" Checks for a module folder in the site pacakges path """

return os.path.isdir(site_packages_path+'\\'+mod)


Expand Down Expand Up @@ -198,7 +178,6 @@ def write_ob_hook(site_packages_path, overwrite):

# Don't overwrite files
if not os.path.isfile(hook_path+'\\hook-openbabel.py') or overwrite:

data_files = os.listdir(babel_data) # All files in the directory

# If these files are not included openbabel will give a warning
Expand Down Expand Up @@ -229,33 +208,26 @@ def write_ob_hook(site_packages_path, overwrite):
datas """+"= "+str(datas))

print('>> An openbabel hook for PyInstaller has been created!')

outfile.close()

else:

print('>> A preexisting openbabel hook was found and will be used!')


def write_spec_file(build_dir, pyinst_dict, obf_files):
""" Writes a .spec file for PyInstaller """

def _write_obf(obf_files, build_dir):

return_string = 'a.binaries'

if obf_files is not None:

if len(obf_files) == 1: # Only one .obf files

return_string += " + [('" + obf_files[0] + "', " +\
repr(build_dir + '\\' + obf_files[0]) +\
", 'BINARY')],"

else:

for entry in range(len(obf_files) - 1):

return_string += " + [('" + obf_files[entry] + "', " +\
repr(build_dir + '\\' +
obf_files[entry])+", 'BINARY')]"
Expand All @@ -264,13 +236,10 @@ def _write_obf(obf_files, build_dir):
repr(build_dir+'\\'+obf_files[-1])+", 'BINARY')],"

else:

return_string += ','

return return_string

os.chdir(build_dir) # Change to build directory and create a new file

spec_file = 'aRMSD.spec'

# Write additional binary string for .spec file:
Expand Down Expand Up @@ -349,7 +318,6 @@ def package_cython_modules(build_dir, list_of_files, cython_compiler):
""" Compiles .pyx/.py files to .pyd/.so files inplace """

os.chdir(build_dir) # Change to build directory and create a new file

setup_file = 'cythonize_modules.py'

# Write temporary setup file
Expand Down Expand Up @@ -393,7 +361,6 @@ def run_compilation(use_openbabel, use_cython, cython_compiler, overwrite):
print('\n\t -- Estimated total compilation time: 30 min --')

else:

print('\n\t --Estimated total compilation time: 35 min --')

print(80 * '-')
Expand Down Expand Up @@ -445,7 +412,6 @@ def run_compilation(use_openbabel, use_cython, cython_compiler, overwrite):
print('\n>> Creating temporary directory... '+build_folder_name)

if os.path.isdir(build_folder_name): # Remove build folder if it exists

shutil.rmtree(build_dir)
print('\n>> Build directory already exists... it will be removed!')

Expand All @@ -464,21 +430,17 @@ def run_compilation(use_openbabel, use_cython, cython_compiler, overwrite):
build_dir + '\\' + name_log+ext_log)

if overwrite:

print('\n>> INFO: All existing files (hooks, etc.) will be overwritten')

if use_openbabel and has_obabel: # Copy obenbabel files

print('\n>> Copying openbabel files...')
obf_files = copy_obfiles(build_dir, site_packages_path)
write_ob_hook(site_packages_path, overwrite)

elif use_openbabel and not has_obabel:

print('\n>> ERROR: Openbabel was not found on your system, will continue without it!')

else:

print('\n>> INFO: Openbabel will not be used!')

print('\n>> Copying core modules...')
Expand All @@ -487,11 +449,8 @@ def run_compilation(use_openbabel, use_cython, cython_compiler, overwrite):
print('\t... '+name_log+ext_log)

if use_cython: # Cythonize pyx files or py files

print('\n>> Attempting to use Cython in the compilation')

try:

# Import required modules
from setuptools import setup
from setuptools import Extension
Expand All @@ -507,7 +466,6 @@ def run_compilation(use_openbabel, use_cython, cython_compiler, overwrite):
will_use_cython = False

if will_use_cython:

print('\npython cythonize_modules.py build_ext --inplace --compiler='+cython_compiler)

# Combine modules in list and compile to libraries
Expand All @@ -526,7 +484,6 @@ def run_compilation(use_openbabel, use_cython, cython_compiler, overwrite):
os.remove(name_log+'.c')

else:

print('\n>> INFO: Cython will not be used!')

print('\n>> Copying main program files...')
Expand Down Expand Up @@ -585,14 +542,12 @@ def run_compilation(use_openbabel, use_cython, cython_compiler, overwrite):
print('The start of the program may take a few seconds!')

else:

print('\n>> ERROR: PyInstaller was not found.')
print(' install the package and run again!')
print('--> from command line: pip install pyinstaller')


if __name__ == '__main__': # Run the program

arguments = sys.argv[1:] # Get arguments
use_openbabel, use_cython, cython_compiler, overwrite = analyze_arguments(arguments) # Check arguments and set variables
run_compilation(use_openbabel, use_cython, cython_compiler, overwrite)

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