Issues with vaspio on new pymatgen update?

[ddidjbroberg]

Hi,

I ran update_codes on hopper this morning and now I can't seem to get Vasp io calls to work.

I have tried the old 'from pymatgen.io.vaspio import Poscar' as well as what I think may be the newer ' from pymatgen.io.vasp.inputs import Poscar' 

and both get the same error: 

>>> from pymatgen.io.vasp.inputs import Poscar

Traceback (most recent call last):

  File "<stdin>", line 1, in <module>

  File "/global/u1/d/dbroberg/db_test/codes/pymatgen/pymatgen/__init__.py", line 18, in <module>

    from .io.smart import read_structure, write_structure, read_mol, write_mol

  File "/global/u1/d/dbroberg/db_test/codes/pymatgen/pymatgen/io/smart.py", line 26, in <module>

    from pymatgen.io.vasp import Vasprun, Poscar, Chgcar

  File "/global/u1/d/dbroberg/db_test/codes/pymatgen/pymatgen/io/vasp/__init__.py", line 10, in <module>

    from .outputs import *

  File "/global/u1/d/dbroberg/db_test/codes/pymatgen/pymatgen/io/vasp/outputs.py", line 37, in <module>

    from monty.re import regrep

ImportError: No module named re

I tried the same thing on Carver and it had the same issues. Is anyone else encountering similar issues?

Best,

Danny

[Shyue Ping]

It seems that you did not update monty to the latest version.

Pls run pip install monty --upgrade --user 

Shyue Ping

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[Patrick Huck]

Hi Danny,

you might also have to update monty.

best & thanks,
Patrick

[ddidjbroberg]

Thanks for the quick reply. 

I wasn't able to get pip install monty --upgrade --user (or pip install monty --upgrade) to work in my virtual environment on hopper, however I was able to fix the issue by downloading the 0.6.5 release of monty and installing it in my /lib/python2.7/site-packages/ folder within the virtual_db_test files.

Thanks again,

Danny