error occured when I install the dpgen

[LZYUCL]

I have download the offline installation package dpgen-0.10.2-Linux-x86_64.sh, and install it. But when I run dpgen -h, some errors occur:

NOTE: Some configuration directories are not set up yet:
/public/home/yguo_li/.gromacswrapper
/public/home/yguo_li/.gromacswrapper/qscripts
/public/home/yguo_li/.gromacswrapper/templates
NOTE: You can create the configuration file and directories with:
>>> import gromacs
>>> gromacs.config.setup()
/public/home/yguo_li/.local/lib/python3.8/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 "/public/home/yguo_li/.local/bin/dpgen", line 5, in
from dpgen.main import main
File "/public/home/yguo_li/.local/lib/python3.8/site-packages/dpgen/main.py", line 15, in
from dpgen.auto_test.run import gen_test
File "/public/home/yguo_li/.local/lib/python3.8/site-packages/dpgen/auto_test/run.py", line 9, in
from dpgen.auto_test.common_prop import make_property, run_property, post_property
File "/public/home/yguo_li/.local/lib/python3.8/site-packages/dpgen/auto_test/common_prop.py", line 11, in
from dpgen.auto_test.Interstitial import Interstitial
File "/public/home/yguo_li/.local/lib/python3.8/site-packages/dpgen/auto_test/Interstitial.py", line 7, in
from pymatgen.analysis.defects.generators import InterstitialGenerator
File "/public/home/yguo_li/.local/lib/python3.8/site-packages/pymatgen/analysis/defects/generators.py", line 13, in
from pymatgen.analysis.bond_valence import BVAnalyzer
File "/public/home/yguo_li/.local/lib/python3.8/site-packages/pymatgen/analysis/bond_valence.py", line 50, in
for k, v in loadfn(os.path.join(module_dir, "bvparam_1991.yaml")).items():
File "/public/home/yguo_li/.local/lib/python3.8/site-packages/monty/serialization.py", line 82, in loadfn
raise RuntimeError("Loading of YAML files requires " "ruamel.yaml.")
RuntimeError: Loading of YAML files requires ruamel.yaml.

Do I need to install gromacs first? Cause that I cannot find any gromacs. Any help is be of great thanks!

[AnguseZhang]

Warnings about gromacs can be ignored.

[LZYUCL]

Thanks, but how can I test if dpgen is installed? I cannot get any information of dpgen, such as version, commands...

[AnguseZhang]

[LZYUCL]

Thanks a lot! But I still get the error as shown above.

[AnguseZhang]

Probably there are some conflict environments. Did you press yes at the end of your installation when it asks about conda init? You can try installation again, press no, use the absolute path such as somplace/bin/dpgen -h and try again.

[LZYUCL]

Thanks a lot! I have solved this problem by add export PATH=/home/cs-li3/dpgen/bin:${PATH} in the .bashrc file.