You signed in with another tab or window. Reload to refresh your session.You signed out in another tab or window. Reload to refresh your session.You switched accounts on another tab or window. Reload to refresh your session.Dismiss alert
when I install atomate2 and configure pymatgen, and then type pmg config --add PMG_VASP_PSP_DIR /abs/path/to/psp PMG_MAPI_KEY my_api_key , there are some errors.
pmg config --add PMG_VASP_PSP_DIR /home/hyj/soft/atomate/pps my_api_key
Traceback (most recent call last):
File "/home/hyj/miniconda3/envs/atomate2/bin/pmg", line 5, in
from pymatgen.cli.pmg import main
File "/home/hyj/miniconda3/envs/atomate2/lib/python3.9/site-packages/pymatgen/cli/pmg.py", line 12, in
from pymatgen.cli.pmg_analyze import analyze
File "/home/hyj/miniconda3/envs/atomate2/lib/python3.9/site-packages/pymatgen/cli/pmg_analyze.py", line 12, in
from pymatgen.apps.borg.hive import SimpleVaspToComputedEntryDrone, VaspToComputedEntryDrone
File "/home/hyj/miniconda3/envs/atomate2/lib/python3.9/site-packages/pymatgen/apps/borg/hive.py", line 15, in
from pymatgen.entries.computed_entries import ComputedEntry, ComputedStructureEntry
File "/home/hyj/miniconda3/envs/atomate2/lib/python3.9/site-packages/pymatgen/entries/init.py", line 16, in
from pymatgen.core.composition import Composition
File "/home/hyj/miniconda3/envs/atomate2/lib/python3.9/site-packages/pymatgen/core/init.py", line 79, in
locals().update(SETTINGS)
ValueError: dictionary update sequence element #0 has length 1; 2 is required
How to solve? Thank you very much!
Expected Behavior
How to solve ? Thank you very much!
Minimal example
No response
Relevant files to reproduce this bug
No response
The text was updated successfully, but these errors were encountered:
Python version
python3.9
Pymatgen version
2023.12.18
Operating system version
ubuntu 22.04 LTS
Current behavior
when I install atomate2 and configure pymatgen, and then type pmg config --add PMG_VASP_PSP_DIR /abs/path/to/psp PMG_MAPI_KEY my_api_key , there are some errors.
pmg config --add PMG_VASP_PSP_DIR /home/hyj/soft/atomate/pps my_api_key
Traceback (most recent call last):
File "/home/hyj/miniconda3/envs/atomate2/bin/pmg", line 5, in
from pymatgen.cli.pmg import main
File "/home/hyj/miniconda3/envs/atomate2/lib/python3.9/site-packages/pymatgen/cli/pmg.py", line 12, in
from pymatgen.cli.pmg_analyze import analyze
File "/home/hyj/miniconda3/envs/atomate2/lib/python3.9/site-packages/pymatgen/cli/pmg_analyze.py", line 12, in
from pymatgen.apps.borg.hive import SimpleVaspToComputedEntryDrone, VaspToComputedEntryDrone
File "/home/hyj/miniconda3/envs/atomate2/lib/python3.9/site-packages/pymatgen/apps/borg/hive.py", line 15, in
from pymatgen.entries.computed_entries import ComputedEntry, ComputedStructureEntry
File "/home/hyj/miniconda3/envs/atomate2/lib/python3.9/site-packages/pymatgen/entries/init.py", line 16, in
from pymatgen.core.composition import Composition
File "/home/hyj/miniconda3/envs/atomate2/lib/python3.9/site-packages/pymatgen/core/init.py", line 79, in
locals().update(SETTINGS)
ValueError: dictionary update sequence element #0 has length 1; 2 is required
How to solve? Thank you very much!
Expected Behavior
How to solve ? Thank you very much!
Minimal example
No response
Relevant files to reproduce this bug
No response
The text was updated successfully, but these errors were encountered: