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1 parent 27cf3e7 commit cc17997Copy full SHA for cc17997
rmgpy/qm/mopac.py
@@ -52,16 +52,7 @@ class Mopac(object):
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input_file_extension = ".mop"
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output_file_extension = ".out"
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- try:
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- executable_path = distutils.spawn.find_executable("mopac")
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- except:
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- logging.debug(
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- "Did not find mopac on path, checking if it exists in a declared MOPAC_DIR..."
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- )
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- mopacEnv = os.getenv("MOPAC_DIR", default="/opt/mopac")
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- executable_path = os.path.join(mopacEnv, "mopac")
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- if not os.path.exists(executable_path):
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- executable_path = os.path.join(mopacEnv, "(MOPAC 2009 or 2012 or 2016)")
+ executable_path = distutils.spawn.find_executable("mopac")
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use_polar = False # use polar keyword in MOPAC
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