diff --git a/src/atomate2/vasp/jobs/core.py b/src/atomate2/vasp/jobs/core.py index 1198b89d8a..91f370104c 100644 --- a/src/atomate2/vasp/jobs/core.py +++ b/src/atomate2/vasp/jobs/core.py @@ -3,6 +3,7 @@ from __future__ import annotations import logging +import warnings from dataclasses import dataclass, field from typing import TYPE_CHECKING, Literal @@ -26,6 +27,7 @@ if TYPE_CHECKING: from pathlib import Path + from typing import Any from jobflow import Response from pymatgen.core.structure import Structure @@ -206,41 +208,6 @@ class TightRelaxConstVolMaker(BaseVaspMaker): ) -@dataclass -class TightConstVolRelaxMaker(BaseVaspMaker): - """ - Maker to create tight VASP relaxation jobs. - - Parameters - ---------- - name : str - The job name. - input_set_generator : .VaspInputGenerator - A generator used to make the input set. - write_input_set_kwargs : dict - Keyword arguments that will get passed to :obj:`.write_vasp_input_set`. - copy_vasp_kwargs : dict - Keyword arguments that will get passed to :obj:`.copy_vasp_outputs`. - run_vasp_kwargs : dict - Keyword arguments that will get passed to :obj:`.run_vasp`. - task_document_kwargs : dict - Keyword arguments that will get passed to :obj:`.TaskDoc.from_directory`. - stop_children_kwargs : dict - Keyword arguments that will get passed to :obj:`.should_stop_children`. - write_additional_data : dict - Additional data to write to the current directory. Given as a dict of - {filename: data}. Note that if using FireWorks, dictionary keys cannot contain - the "." character which is typically used to denote file extensions. To avoid - this, use the ":" character, which will automatically be converted to ".". E.g. - ``{"my_file:txt": "contents of the file"}``. - """ - - name: str = "tight relax" - input_set_generator: VaspInputGenerator = field( - default_factory=TightRelaxConstVolSetGenerator - ) - - @dataclass class NonSCFMaker(BaseVaspMaker): """ @@ -643,3 +610,19 @@ def make( self.write_additional_data.setdefault("transformations:json", tjson) return super().make.original(self, structure, prev_dir) + + +def __getattr__(name: str) -> Any: + if name == "TightConstVolRelaxMaker": + warnings.warn( + ( + "`TightConstVolRelaxMaker` is a duplicate of " + " `TightRelaxConstVolMaker`, and will be removed on " + "1 October, 2026. Please migrate to `TightRelaxConstVolMaker`." + ), + DeprecationWarning, + stacklevel=2, + ) + return TightRelaxConstVolMaker + + raise AttributeError(f"module {__name__!r} has no attribute {name!r}")