Skip to content

SyntaxError: invalid syntax #89

@jintianyun56

Description

@jintianyun56

Hi there,
I have settings.cfg but have to change ConfPrune.pyx as ConfPrune.py, otherwise, the PyDP4.py can't find ConfPrune.
I tried to run the sample AT1.sdf.
Running "PyDP4.py -s chloroform -m m -B 6-311g* -F mPW1PW91 --AssumeDFTDone AT1_ AT1NMR" in the ./MM/ file show error

File "/home/tj/DP5_master/ConfPrune.py", line 37
cdef long int c1, c2
^^^^
SyntaxError: invalid syntax

would you like to help me to fix it?
Thanks

Metadata

Metadata

Assignees

No one assigned

    Labels

    No labels
    No labels

    Type

    No type

    Projects

    No projects

    Milestone

    No milestone

    Relationships

    None yet

    Development

    No branches or pull requests

    Issue actions