mirror of
https://github.com/LCPQ/quantum_package
synced 2024-11-14 10:03:51 +01:00
110 lines
2.7 KiB
Python
Executable File
110 lines
2.7 KiB
Python
Executable File
#!/usr/bin/env python
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"""
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Save the .o from a .f90
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and is the .o is asked a second time, retur it
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Take in argv command like:
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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
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"""
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import os
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import sys
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import hashlib
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import re
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import shutil
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import subprocess
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r = re.compile(ur'-c\s+(\S+\.[fF]90)\s+-o\s+(\S+\.o)')
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p = re.compile(ur'-I IRPF90_temp/\S*\s+')
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mod = re.compile(ur'module\s+(?P<mod>\S+).+end\s?module\s+(?P=mod)?',
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re.MULTILINE | re.IGNORECASE)
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tmpdir_root = os.environ.get("TMPDIR", failobj="/dev/shm")
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TMPDIR = os.path.join(tmpdir_root, os.environ["USER"], "qp_compiler")
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def return_filename_to_cache(command):
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"""
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For a irp_command:
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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
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Return the *.F90 and the *.o
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"""
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command_clean = p.sub('', command)
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match = r.search(command_clean)
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input = match.group(1)
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output = match.group(2)
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return (input, output)
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def get_hash_key(command, input_data):
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"""
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Return the hash of command + input_data
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"""
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m = hashlib.md5()
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m.update(command)
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m.update(input_data)
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# Md5 Key containing command + content of Fread
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return m.hexdigest()
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def run_and_save_the_data(command, path_output, path_key, is_mod):
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# Compile the file -> .o
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process = subprocess.Popen(command, shell=True)
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if process.wait() != 0:
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sys.exit(1)
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elif not is_mod:
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try:
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shutil.copyfile(path_output, path_key)
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except:
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pass
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def cache_utility(command):
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# Create temp directory
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try:
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os.makedirs(TMPDIR)
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except OSError:
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pass
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# Get the filename of the input.f.90
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# and the otput .o
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try:
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(path_input, path_output) = return_filename_to_cache(command)
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except:
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# Canot parse the arg of command
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raise OSError
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try:
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with open(path_input, 'r') as f:
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input_data = f.read()
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# Get the hash
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key = get_hash_key(command, input_data)
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path_key = os.path.join(TMPDIR, key)
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# Try to return the content of the .o file
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try:
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shutil.copyfile(path_key, path_output)
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except IOError:
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is_mod = mod.search(input_data.replace('\n', ' '))
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run_and_save_the_data(command, path_output, path_key, is_mod)
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except:
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raise
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if __name__ == '__main__':
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line = sys.argv[1:]
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command = " ".join(line)
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try:
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cache_utility(command)
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except OSError:
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process = subprocess.Popen(command, shell=True)
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