Abipy workdir-error

Running Abinit Other tools and postprocessing in ABINIT
1

Hello,
first: happy new year :partying_face:
I installed abipy via pip and now tried to use
abiopen.py but face a workdir error:

File “$HOME/anaconda3/lib/python3.7/site-packages/abipy/tools/plotting.py”, line 21, in
from abipy.tools.iotools import dataframe_from_filepath
File “”, line 1
(workdir=)

The same scours when running the core tests. Can someone help me to properly fix this?

Best,
Marina

2

Happy new year Marina! Thanks for reporting this problem. Could you perhaps give us more information: OS, python version, pip version? Could you copy paste us the full error traceback?

Did you follow the pymatgen and abipy installation guides? Abipy relies a lot on pymatgen and it might be tricky to install.

Cheers,

Felix

3

Hello Felix,
thanks for your reply!
I followed the abipy installation guide.
OS: Ubuntu 20.04.6 LTS
Python 3.7.15
pip 22.2.2

abiopen.py Test_DS22_GSR.nc --expose -sns=talk
Traceback (most recent call last):
File “/home/NAME/anaconda3/bin/abiopen.py”, line 14, in
import abipy.tools.cli_parsers as cli
File “/home/NAME/anaconda3/lib/python3.7/site-packages/abipy/init.py”, line 17, in
from abipy.core import release
File “/home/NAME/anaconda3/lib/python3.7/site-packages/abipy/core/init.py”, line 4, in
from .structure import *
File “/home/NAME/anaconda3/lib/python3.7/site-packages/abipy/core/structure.py”, line 30, in
from abipy.tools.plotting import add_fig_kwargs, get_ax_fig_plt, get_axarray_fig_plt, add_plotly_fig_kwargs
File “/home/NAME/anaconda3/lib/python3.7/site-packages/abipy/tools/plotting.py”, line 21, in
from abipy.tools.iotools import dataframe_from_filepath
File “”, line 1
(workdir=)

Cheers,
Marina

4

Hello,
I reinstalled and after solving version problems (routine from netcdf4 names changed) abipy seems to be working.
Best,
Marina