module 'pymatgen.io.abinit.netcdf' has no attribute 'ETSF_Reader'

[abdelghany0]

Dear Abipy Developers,

I faced this issue with the Yambopy code but it looks like an Abipy issue.

When I run the script python gw_bn.py the following error shows up:

Traceback (most recent call last):
  File "/rhome/Ragab/11-yambopy/3run/plot-qp.py", line 53, in <module>
    ks_bs, qp_bs = ydb.interpolate(lat,path,what='QP+KS',lpratio=20)
  File "/usr/local/anaconda3/envs/triqs/lib/python3.9/site-packages/yambopy-0.2.0-py3.9.egg/yambopy/dbs/qpdb.py", line 275, in interpolate
    from abipy.core.skw import SkwInterpolator
  File "/usr/local/anaconda3/envs/triqs/lib/python3.9/site-packages/abipy/__init__.py", line 17, in <module>
    from abipy.core import release
  File "/usr/local/anaconda3/envs/triqs/lib/python3.9/site-packages/abipy/core/__init__.py", line 3, in <module>
    from .kpoints import *
  File "/usr/local/anaconda3/envs/triqs/lib/python3.9/site-packages/abipy/core/kpoints.py", line 19, in <module>
    from abipy.iotools import ETSF_Reader
  File "/usr/local/anaconda3/envs/triqs/lib/python3.9/site-packages/abipy/iotools/__init__.py", line 17, in <module>
    class ETSF_Reader(ionc.ETSF_Reader):
AttributeError: module 'pymatgen.io.abinit.netcdf' has no attribute 'ETSF_Reader'

How can I solve this issue?

Thanks

Ragab

[sphuber]

This was reported here #258 and should be fixed by d172fb8

[abdelghany0]

@sphuber
Thank you for your reply,
The problem was solved by following the issue you indicated. But I ran into another issue:

File "/usr/local/anaconda3/envs/triqs/lib/python3.9/gzip.py", line 173, in __init__
    fileobj = self.myfileobj = builtins.open(filename, mode or 'rb')
FileNotFoundError: [Errno 2] No such file or directory: '/usr/local/anaconda3/envs/triqs/lib/python3.9/site-packages/pymatgen/io/vasp/potcar_summary_stats.json.gz'

I think it is related to Bugs listed here, but I don't know how to solve it.

Do you have any tips on dealing with this problem?

[sphuber]

That depends on what triggered the exception. You only show the last part of the stack trace.

The problem is that the pymatgen.io.vasp module relies on this potcar_summary_stats.json.gz file being there, but it isn't. The problem was that abipy was always importing this module, and so always excepting, even if you are not using that part.

Therefore, in e3d3776 I simply moved the imports to inside the methods where they are used. After that, you can use abipy again. It is on the develop branch, so just check that out and install it.

Of course, if you then actually import the pymatgen module, that will still probably except because it cannot find the .json.gz file. But that is a bug with pymatgen I would say.