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20 lines
814 B
Python
20 lines
814 B
Python
--- psi4/run_psi4.py.orig 2022-12-06 22:09:19 UTC
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+++ psi4/run_psi4.py
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@@ -37,6 +37,8 @@ import sys
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import warnings
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from pathlib import Path
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+os.environ["PSIDATADIR"] = "%%DATADIR%%"
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+
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# yapf: disable
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parser = argparse.ArgumentParser(description="Psi4: Open-Source Quantum Chemistry", formatter_class=argparse.RawTextHelpFormatter)
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parser.add_argument("-i", "--input", default="input.dat",
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@@ -126,7 +128,7 @@ if args["inplace"]:
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lib_dir = os.path.dirname(os.path.dirname(os.path.abspath(__file__)))
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if ("PSIDATADIR" not in os.environ.keys()) and (not args["psidatadir"]):
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- data_dir = os.path.sep.join([os.path.abspath(os.path.dirname(__file__)), "share", "psi4"])
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+ data_dir = "%%DATADIR%%"
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os.environ["PSIDATADIR"] = data_dir
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elif "CMAKE_INSTALL_LIBDIR" in lib_dir:
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