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remove dead, untested, and undocumented MOPAC_DIR lines
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rmgpy/qm/mopac.py

Lines changed: 1 addition & 10 deletions
Original file line numberDiff line numberDiff line change
@@ -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)")
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executable_path = distutils.spawn.find_executable("mopac")
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use_polar = False # use polar keyword in MOPAC
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