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Dpgen cannot be installed #1026
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NOTE: Some configuration directories are not set up yet: warnings.warn("Some Gromacs commands were NOT found; " |
you may have to install the latest dpgen on devel branch or downgrade pymatgen to e.g. 2019.1.13, 2019.7.30 see also #963 |
(deepmd) dpgen
/root/anaconda3/envs/deepmd/lib/python3.10/site-packages/gromacs/init.py:286: GromacsImportWarning: Some Gromacs commands were NOT found; maybe source GMXRC first? The following are missing:
['release']
warnings.warn("Some Gromacs commands were NOT found; "
Traceback (most recent call last):
File "/root/.local/bin/dpgen", line 5, in
from dpgen.main import main
File "/root/.local/lib/python3.10/site-packages/dpgen/main.py", line 15, in
from dpgen.auto_test.run import gen_test
File "/root/.local/lib/python3.10/site-packages/dpgen/auto_test/run.py", line 9, in
from dpgen.auto_test.common_prop import make_property, run_property, post_property
File "/root/.local/lib/python3.10/site-packages/dpgen/auto_test/common_prop.py", line 11, in
from dpgen.auto_test.Interstitial import Interstitial
File "/root/.local/lib/python3.10/site-packages/dpgen/auto_test/Interstitial.py", line 7, in
from pymatgen.analysis.defects.generators import InterstitialGenerator
ModuleNotFoundError: No module named 'pymatgen.analysis.defects'
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