Import of MPRester fails

[estavitski]

A new user here, trying an Materials project API. An attempt to import MPRester fails

In [1]: from pymatgen.ext.matproj import MPRester
---------------------------------------------------------------------------
TypeError                                 Traceback (most recent call last)
Cell In[1], line 1
----> 1 from pymatgen.ext.matproj import MPRester

File ~/opt/anaconda3/envs/eli/lib/python3.11/site-packages/pymatgen/ext/matproj.py:28
     26 import requests
     27 from monty.json import MontyDecoder, MontyEncoder
---> 28 from mp_api.client import MPRester as _MPResterNew
     29 from ruamel.yaml import YAML
     30 from tqdm import tqdm

File ~/opt/anaconda3/envs/eli/lib/python3.11/site-packages/mp_api/client/__init__.py:5
      2 import os
      3 from importlib.metadata import PackageNotFoundError, version
----> 5 from .core import MPRestError
      6 from .mprester import MPRester
      8 try:

File ~/opt/anaconda3/envs/eli/lib/python3.11/site-packages/mp_api/client/core/__init__.py:1
----> 1 from .client import BaseRester, MPRestError
      2 from .settings import MAPIClientSettings

File ~/opt/anaconda3/envs/eli/lib/python3.11/site-packages/mp_api/client/core/client.py:20
     17 from urllib.parse import quote, urljoin
     19 import requests
---> 20 from emmet.core.utils import jsanitize
     21 from monty.json import MontyDecoder
     22 from pydantic import BaseModel, create_model

File ~/opt/anaconda3/envs/eli/lib/python3.11/site-packages/emmet/core/utils.py:25
     22 from pymatgen.util.graph_hashing import weisfeiler_lehman_graph_hash
     24 from emmet.core.mpid import MPculeID
---> 25 from emmet.core.settings import EmmetSettings
     27 try:
     28     import bson

File ~/opt/anaconda3/envs/eli/lib/python3.11/site-packages/emmet/core/settings.py:22
     16 DEFAULT_CONFIG_FILE_PATH = str(Path.home().joinpath(".emmet.json"))
     19 S = TypeVar("S", bound="EmmetSettings")
---> 22 class EmmetSettings(BaseSettings):
     23     """
     24     Settings for the emmet- packages
     25     Non-core packages should subclass this to get settings specific to their needs
     26     The default way to modify these is to modify ~/.emmet.json or set the environment variable
     27     EMMET_CONFIG_FILE to point to the json with emmet settings
     28     """
     30     config_file: str = Field(
     31         DEFAULT_CONFIG_FILE_PATH, description="File to load alternative defaults from"
     32     )

File ~/opt/anaconda3/envs/eli/lib/python3.11/site-packages/pydantic/main.py:186, in pydantic.main.ModelMetaclass.__new__()

TypeError: Argument 'bases' has incorrect type (expected list, got tuple)

Relevant versions and platform info:

• OS: MacOS Monterey
• Version pymatgen-2023.7.20
• Python 3.11.2

[janosh]

@estavitski What version of mp-api are you using? Have you tried pip install --update mp-api?

[estavitski]

@janosh mp-api 0.33.3 pyhd8ed1ab_0 conda-forge

[janosh]

That's outdated. Try the latest RC.

[munrojm]

0.33.3 should still be okay. Which version of pydantic do you have installed?

[estavitski]

@munrojm pydantic 1.10.12 py311h2725bcf_0 conda-forge

[munrojm]

Hm, okay. I can't reproduce so far. Which version of emmet-core do you have?

[estavitski]

@munrojm updated to pydantic 2.1.1, and now I get PydanticImportError:BaseSettingshas been moved to thepydantic-settings` package. See https://docs.pydantic.dev/2.1.1/migration/#basesettings-has-moved-to-pydantic-settings for more details.

For further information visit https://errors.pydantic.dev/2.1.1/u/import-error `

[estavitski]

@munrojm emmet-core 0.63.1 FWIW when I tried to pip install --upgrade emmet-core it did that Installing collected packages: pydantic Attempting uninstall: pydantic Found existing installation: pydantic 2.1.1 Uninstalling pydantic-2.1.1: Successfully uninstalled pydantic-2.1.1 Successfully installed pydantic-1.10.12

[munrojm]

@estavitski Yes, pydantic 1.10.12 should be good. We are planning on support >2.0 soon.

Does this import error happen for you if you directly import from mp-api?

from mp_api.client import MPRester

[estavitski]

@munrojm Ha! No. Thanks!

[munrojm]

Glad it is an easy fix. It definitely shouldn't be erroring out just by importing through pymatgen though, so @janosh and I will have to investigate that.

[janosh]

I think this might be an environment issue. Does the original error still happen for you @estavitski now? And if so, can you reproduce it in a clean environment?

[estavitski]

@janosh you were right. (eli) elistavitski@10-4-5-112 ~ % conda create --name test python=3.11 (eli) elistavitski@10-4-5-112 ~ % conda activate test (test) elistavitski@10-4-5-112 ~ % conda install --channel conda-forge pymatgen (test) elistavitski@10-4-5-112 ~ % conda install ipython (test) elistavitski@10-4-5-112 ~ % ipython Python 3.11.4 (main, Jul 5 2023, 08:41:25) [Clang 14.0.6 ] Type 'copyright', 'credits' or 'license' for more information IPython 8.12.0 -- An enhanced Interactive Python. Type '?' for help.

In [1]: from pymatgen.ext.matproj import MPRester

In [2]: