Problem with dpgen run "AttributeError: 'str' object has no attribute 'from_str'"

[Nancy877]

Hello teacher,
When I use dpgen run, I meet the following errors:
INFO:dpgen:-------------------------iter.000000 task 05--------------------------
INFO:dpgen:-------------------------iter.000000 task 06--------------------------
INFO:dpgen:system 000 candidate : 56 in 93 60.22 %
INFO:dpgen:system 000 failed : 35 in 93 37.63 %
INFO:dpgen:system 000 accurate : 2 in 93 2.15 %
INFO:dpgen:system 000 accurate_ratio: 0.0215 thresholds: 1.0000 and 1.0000 eff. task min and max -1 5 number of fp tasks: 5
Traceback (most recent call last):
File "/opt/software/deepmd-kit/bin/dpgen", line 8, in
sys.exit(main())
File "/opt/software/deepmd-kit/lib/python3.10/site-packages/dpgen/main.py", line 233, in main
args.func(args)
File "/opt/software/deepmd-kit/lib/python3.10/site-packages/dpgen/generator/run.py", line 5109, in gen_run
run_iter(args.PARAM, args.MACHINE)
File "/opt/software/deepmd-kit/lib/python3.10/site-packages/dpgen/generator/run.py", line 4458, in run_iter
make_fp(ii, jdata, mdata)
File "/opt/software/deepmd-kit/lib/python3.10/site-packages/dpgen/generator/run.py", line 3516, in make_fp
make_fp_vasp(iter_index, jdata)
File "/opt/software/deepmd-kit/lib/python3.10/site-packages/dpgen/generator/run.py", line 3157, in make_fp_vasp
make_fp_vasp_kp(iter_index, jdata)
File "/opt/software/deepmd-kit/lib/python3.10/site-packages/dpgen/generator/run.py", line 2933, in make_fp_vasp_kp
standard_incar = incar_upper(Incar.from_string(incar))
File "/opt/software/deepmd-kit/lib/python3.10/site-packages/numpy/lib/utils.py", line 97, in newfunc
return func(*args, **kwds)
File "/opt/software/deepmd-kit/lib/python3.10/site-packages/pymatgen/io/vasp/inputs.py", line 766, in from_string
return cls.from_str(*args, **kwargs)
AttributeError: 'str' object has no attribute 'from_str'

The installed software versions are as follows:
DeePMD-kit v2.2.2
dpgen Version: 0.11.1
Path: /opt/software/deepmd-kit/lib/python3.10/site-packages/dpgen
Dependency

 numpy     1.22.3   /opt/software/deepmd-kit/lib/python3.10/site-packages/numpy
dpdata     0.2.15   /opt/software/deepmd-kit/lib/python3.10/site-packages/dpdata

pymatgen unknown version or path
monty 2022.1.19 /opt/software/deepmd-kit/lib/python3.10/site-packages/monty
ase 3.22.1 /opt/software/deepmd-kit/lib/python3.10/site-packages/ase
paramiko 3.2.0 /opt/software/deepmd-kit/lib/python3.10/site-packages/paramiko
custodian 2023.6.5 /opt/software/deepmd-kit/lib/python3.10/site-packages/custodian
DeePMD-kit v2.2.2

I doubt whether this caused by a mismatch in my Python version.

[njzjz]

The reason should be a breaking change in the pymatgen package. Could you use pip list to print its version? An old version of pymatgen should work.

[njzjz]

It seems to be a bug in materialsproject/pymatgen#3158

[Nancy877]

Thanks for your reply！ I use "pip list", it shows: pymatgen                  2023.7.17 pymatgen-analysis-defects 2023.7.12 I have also read the relevant link you provided (materialsproject/pymatgen#3158）, but found that there are too many areas that need to be modified. Can I uninstall the new version of pymatgen and download a suitable old version? Could you recommend a version for me. Thanks very much! （I previously installed dpgen 0.11.0,  found no pymatgen in the pip list. I tried to lower the existing dpgen version to 0.11.0 and displayed the same error message）

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------------------ 原始邮件 ------------------ 发件人: "deepmodeling/dpgen" ***@***.***>; 发送时间: 2023年7月22日(星期六) 下午4:09 ***@***.***>; ***@***.******@***.***>; 主题: Re: [deepmodeling/dpgen] Problem with dpgen run "AttributeError: 'str' object has no attribute 'from_str'" (Discussion #1282) The reason should be a breaking change in the pymatgen package. Could you use pip list to print its version? I guess an old version should work. — Reply to this email directly, view it on GitHub, or unsubscribe. You are receiving this because you authored the thread.Message ID: ***@***.***>

[Nancy877]

Thanks very much. I have changed the version with pymatgen=2023.5.8 and the software can run successfully！