Molcas Forum

maheshg

Member

Registered: 2018-09-25

Posts: 9

[SOLVED] Pymolcas verify problem

Dear All,

I am trying to install OpenMolcas in one of our cluster by using openmpi, intel MKL libraries and global array tool kit. I successfully generated pymolcas by executing configure followed by make. I also have exported MOLCAS to the build directory. After this, the execution of pymolcas verify gives the following error,

Traceback (most recent call last):
  File "/home/mahesh/Software/psi4conda/bin/pymolcas", line 440, in <module>
    exec('import zlib,base64;exec(zlib.decompress(base64.b64decode(bytes(m[1],\'ascii\'))),module.__dict__);del zlib,base64')
  File "<string>", line 1, in <module>
  File "<string>", line 19, in <module>
  File "/home/mahesh/Software/psi4conda/bin/pyparsing.py", line 910
    except ParseBaseException, err:
                             ^
SyntaxError: invalid syntax

I guess, it is related to python error. The version of the python, I have used to install OpenMolcas is 3.4.5.

Any help would be greatly appreciated.

Thank you
Mahesh

Ignacio

Administrator

From: Uppsala

Registered: 2015-11-03

Posts: 1,012

Re: [SOLVED] Pymolcas verify problem

You probably have a conflict with a Psi4 installation (I guess that's where psi4conda comes from). The correct syntax is:

except ParseBaseException as err:

What you have is an older syntax that's probably deprecated in python 3. I guess you should disable the psi4conda and/or install pyparsing for python 3.4.5.

maheshg

Member

Registered: 2018-09-25

Posts: 9

Re: [SOLVED] Pymolcas verify problem

Dear Ignacio,

Thank you for the suggestion. I had disabled the psi4anconda earlier only but missed to source the .bashrc file. Now, it is working fine.

Mahesh