mirror of
https://github.com/LCPQ/quantum_package
synced 2024-11-19 04:22:36 +01:00
Anthony Scemama
741cd36db2
Conflicts: src/CISD/README.rst src/CISD/SC2.irp.f src/CISD/cisd.irp.f src/Dets/README.rst src/Dets/determinants.irp.f src/Dets/slater_rules.irp.f src/Perturbation/README.rst
94 lines
2.3 KiB
Python
Executable File
94 lines
2.3 KiB
Python
Executable File
#!/usr/bin/python
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import sys,os
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import subprocess
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DEBUG=False
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def run_test(test_name,inp):
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command = './'+test_name+" ${QPACKAGE_ROOT}/data/inputs/"+inp
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try:
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result = subprocess.check_output(command, shell=True)
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except:
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result = sys.exc_info()[0]
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return result
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if __name__ == '__main__':
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import unittest
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from math import *
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from multiprocessing import Pool
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env = os.environ
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verbosity = 1
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if os.environ["OMP_NUM_THREADS"]=="1":
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try:
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nproc = int(subprocess.check_output("cat /proc/cpuinfo | grep processor | wc -l", shell=True))
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except:
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nproc=4
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else:
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nproc=1
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testfiles = []
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for f in os.listdir(os.getcwd()):
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if f.endswith('.irp.f'):
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testfiles.append(f.replace('.irp.f',''))
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# start worker processes
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pool = Pool(processes=nproc)
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template = """
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class $test(unittest.TestCase):
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default_precision = 10
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execfile('$test.ref')
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name = '$test'
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tasks = {}
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def setUp(self):
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if DEBUG: return
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for d in self.data.keys():
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if d not in self.tasks:
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self.tasks[d] = pool.apply_async(run_test, [self.name, d])
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def _test_input(self,inp):
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if DEBUG:
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output = run_test(self.name,inp)
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else:
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output = self.tasks[inp].get()
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for line in output.splitlines():
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buffer = line.split(':')
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if len(buffer) == 1:
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continue
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l,r = buffer
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l,r = l.strip(), eval(r)
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if 'precision' in self.__dict__:
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precision = self.precision[l]
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else:
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precision = self.default_precision
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if type(r) == float:
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self.assertAlmostEqual(self.data[inp][l], r,
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places=precision, msg=None)
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#places=abs(int(log10(precision*max(abs(self.data[inp][l]),1.e-12)))), msg=None)
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else:
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self.assertEqual(self.data[inp][l], r, msg=None)
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t = "def test_$k(self): self._test_input('$i')"
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for i in data.keys():
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k = i
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k = k.replace('.ezfio','')
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k = k.replace('-','_m_')
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k = k.replace('+','_p_')
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exec t.replace('$i',i).replace('$k',k) in locals()
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"""
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for test in testfiles:
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exec template.replace('$test',test) in locals()
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unittest.main(verbosity=verbosity)
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