Electrostatics / apbs-pdb2pqr

APBS - software for biomolecular electrostatics and solvation
http://www.poissonboltzmann.org/
128 stars 62 forks source link

Unable to use inputgen.py with python3 #534

Closed lvotapka closed 4 years ago

lvotapka commented 4 years ago

Hi everyone,

I can't seem to be able to run inputgen with Python 3.7.4:

$ python inputgen.py 
  File "inputgen.py", line 68
    self.async = 0
             ^
SyntaxError: invalid syntax

However, if I run with Python 2.7.12, it works:

$ python2 inputgen.py 
Invalid argument list!

Use this script to generate new APBS input files or split an existing
parallel input file into multiple async files.

Usage: inputgen.py [opts] <filename>

And then the arguments are listed...

I am just getting used to using python3 myself, so I have no idea what might be causing this problem...

speleo3 commented 4 years ago

There is an open pull request which fixes this: https://github.com/Electrostatics/apbs-pdb2pqr/pull/516

I don't know why it hasn't been merged yet.

lvotapka commented 4 years ago

Ah so it looks like "async" is a reserved keyword in Python 3.

sobolevnrm commented 4 years ago

@kozlac and @intendo are working on the Python3 upgrade. We hope to release soon.

intendo commented 4 years ago

This has been resolved and upgraded to Python3.