mirror of
https://github.com/LCPQ/quantum_package
synced 2024-11-05 13:43:57 +01:00
110 lines
2.7 KiB
Python
Executable File
110 lines
2.7 KiB
Python
Executable File
#!/usr/bin/env python2
|
|
"""
|
|
Save the .o from a .f90
|
|
and is the .o is asked a second time, retur it
|
|
Take in argv command like:
|
|
ifort -g -openmp -I IRPF90_temp/Ezfio_files/ -c IRPF90_temp/Integrals_Monoelec/kin_ao_ints.irp.module.F90 -o IRPF90_temp/Integrals_Monoelec/kin_ao_ints.irp.module.o
|
|
"""
|
|
|
|
import os
|
|
import sys
|
|
import hashlib
|
|
import re
|
|
import shutil
|
|
import subprocess
|
|
|
|
r = re.compile(ur'-c\s+(\S+\.[fF]90)\s+-o\s+(\S+\.o)')
|
|
p = re.compile(ur'-I IRPF90_temp/\S*\s+')
|
|
mod = re.compile(ur'module\s+(?P<mod>\S+).+end\s?module\s+(?P=mod)?',
|
|
re.MULTILINE | re.IGNORECASE)
|
|
|
|
tmpdir_root = os.environ.get("TMPDIR", failobj="/dev/shm")
|
|
TMPDIR = os.path.join(tmpdir_root, os.environ["USER"], "qp_compiler")
|
|
|
|
|
|
def return_filename_to_cache(command):
|
|
"""
|
|
For a irp_command:
|
|
ifort -g -openmp -I IRPF90_temp/Ezfio_files/ -c IRPF90_temp/Integrals_Monoelec/kin_ao_ints.irp.module.F90 -o IRPF90_temp/Integrals_Monoelec/kin_ao_ints.irp.module.o
|
|
|
|
Return the *.F90 and the *.o
|
|
"""
|
|
command_clean = p.sub('', command)
|
|
match = r.search(command_clean)
|
|
|
|
input = match.group(1)
|
|
output = match.group(2)
|
|
|
|
return (input, output)
|
|
|
|
|
|
def get_hash_key(command, input_data):
|
|
"""
|
|
Return the hash of command + input_data
|
|
"""
|
|
m = hashlib.md5()
|
|
m.update(command)
|
|
m.update(input_data)
|
|
|
|
# Md5 Key containing command + content of Fread
|
|
return m.hexdigest()
|
|
|
|
|
|
def run_and_save_the_data(command, path_output, path_key, is_mod):
|
|
|
|
# Compile the file -> .o
|
|
process = subprocess.Popen(command, shell=True)
|
|
|
|
if process.wait() != 0:
|
|
sys.exit(1)
|
|
elif not is_mod:
|
|
try:
|
|
shutil.copyfile(path_output, path_key)
|
|
except:
|
|
pass
|
|
|
|
|
|
def cache_utility(command):
|
|
# Create temp directory
|
|
|
|
try:
|
|
os.makedirs(TMPDIR)
|
|
except OSError:
|
|
pass
|
|
|
|
# Get the filename of the input.f.90
|
|
# and the otput .o
|
|
|
|
try:
|
|
(path_input, path_output) = return_filename_to_cache(command)
|
|
except:
|
|
# Canot parse the arg of command
|
|
raise OSError
|
|
|
|
try:
|
|
with open(path_input, 'r') as f:
|
|
input_data = f.read()
|
|
|
|
# Get the hash
|
|
key = get_hash_key(command, input_data)
|
|
path_key = os.path.join(TMPDIR, key)
|
|
|
|
# Try to return the content of the .o file
|
|
try:
|
|
shutil.copyfile(path_key, path_output)
|
|
except IOError:
|
|
is_mod = mod.search(input_data.replace('\n', ' '))
|
|
run_and_save_the_data(command, path_output, path_key, is_mod)
|
|
except:
|
|
raise
|
|
|
|
if __name__ == '__main__':
|
|
|
|
line = sys.argv[1:]
|
|
command = " ".join(line)
|
|
|
|
try:
|
|
cache_utility(command)
|
|
except OSError:
|
|
process = subprocess.Popen(command, shell=True)
|