Dependency error when installing psi4 in a fresh conda environment

build
1

I am installing psi4 in a fresh conda environment using “conda install psi4 -c psi4” and keep getting the following error:

(psitest) vlita@vlita-ThinkPad-T490:~/Desktop/rsrch$ python psi4_test.py
/home/vlita/anaconda3/envs/psitest/lib/python3.10/site-packages/pydantic/_internal/_config.py:321: UserWarning: Valid config keys have changed in V2:

  • ‘allow_mutation’ has been removed
    warnings.warn(message, UserWarning)
    Traceback (most recent call last):
    File “/home/vlita/Desktop/rsrch/psi4_test.py”, line 1, in
    import psi4
    File “/home/vlita/anaconda3/envs/psitest/lib/python3.10/site-packages/psi4/init.py”, line 75, in
    from .driver import endorsed_plugins
    File “/home/vlita/anaconda3/envs/psitest/lib/python3.10/site-packages/psi4/driver/init.py”, line 42, in
    from qcelemental import constants
    File “/home/vlita/anaconda3/envs/psitest/lib/python3.10/site-packages/qcelemental/init.py”, line 6, in
    from . import covalent_radii, models, molparse, molutil, periodic_table, physical_constants, util, vanderwaals_radii
    File “/home/vlita/anaconda3/envs/psitest/lib/python3.10/site-packages/qcelemental/models/init.py”, line 10, in
    from .align import AlignmentMill
    File “/home/vlita/anaconda3/envs/psitest/lib/python3.10/site-packages/qcelemental/models/align.py”, line 6, in
    from …util import blockwise_contract, blockwise_expand
    File “/home/vlita/anaconda3/envs/psitest/lib/python3.10/site-packages/qcelemental/util/init.py”, line 1, in
    from .autodocs import auto_gen_docs_on_demand, get_base_docs
    File “/home/vlita/anaconda3/envs/psitest/lib/python3.10/site-packages/qcelemental/util/autodocs.py”, line 6, in
    from pydantic import BaseModel, BaseSettings
    File “/home/vlita/anaconda3/envs/psitest/lib/python3.10/site-packages/pydantic/init.py”, line 363, in getattr
    return _getattr_migration(attr_name)
    File “/home/vlita/anaconda3/envs/psitest/lib/python3.10/site-packages/pydantic/_migration.py”, line 296, in wrapper
    raise PydanticImportError(
    pydantic.errors.PydanticImportError: BaseSettings has been moved to the pydantic-settings package. See Migration Guide - Pydantic for more details.

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Some Information on my system:

  • Ubuntu 18.04.6 LTS
  • Python 3.8.19 in conda env

What I have tried:

  • Installing psi4 in a conda environment with Python 3.10
  • Using bump-pydantic to update pydantic package from V1 to V2 in psi4 source code
  • manually editing files that are throwing error messages

Any help would be much appreciated!

2

Please use conda install psi4 -c conda-forge as outlined at Install v1.9.1+ | Installs with “conda” selection. (The psi4 channel is still maintained but mostly for the psi4 and libint packages itself, and all deps need to be from c-f.)

Fwiw, psi4 can be used with pydantic v1 or v2 packages; it uses the v1 API importable from v2 package in the latter case.