"unrecognized argument" error

[johnwkeller54]

I am getting a "censo: error: unrecognized arguments: ./crest_conformers.xyz" when I run censo per the following:

$ cd
$ python3.12 -m censo -inp ./crest_conformers.xyz

[FrancescoTalotta]

Hello I have got the same error. I believe there are some problems with the cml_parser.py. To let it work I commented out some lines in the cml_parser.py file:

    #if not check_soft_requirements(args):
    #    raise argparse.ArgumentError(
    #        # None, "One of the soft requirements ('-inp', '-chrg', '-u') not met."
    #        None,
    #        "You must provide an input file via '-i'.")

[johnwkeller54]

Hi,
I did that and still gives same error.

[FrancescoTalotta]

Did you recompile the code with pip install . ?

[johnwkeller54]

Yes:

$ python3.12 -m pip install .
...
Successfully built censo
Installing collected packages: censo
Attempting uninstall: censo
Found existing installation: censo 2.0.2.dev4+g06f5d36
Uninstalling censo-2.0.2.dev4+g06f5d36:
Successfully uninstalled censo-2.0.2.dev4+g06f5d36
Successfully installed censo-2.0.2.dev4+g06f5d36.d20241002

lines 529-533 of cml_parser.py:

#if not check_soft_requirements(args):
#    raise argparse.ArgumentError(
#        # None, "One of the soft requirements ('-inp', '-chrg', '-u') not met."
#        None,
#        "You must provide an input file via '-inp'.")

---

JK

[johnwkeller54]

Repeated install, edit cml_parser.py, re-compile with python3.11. Same result.

[FrancescoTalotta]

Hello, that's how I perform a calculation with the new version:

censo -i $geom -c 2 -s acetonitrile -O 4 --maxcores 16 > $CurrDir/censo.out

I use the -i option for the geometry

[adamhorvath99]

I have the same issue