⬆ Upgrade to pydantic~=2.7

aiida_project/config.py

@@ -2,7 +2,7 @@
 from typing import Optional
 
 import dotenv
-from pydantic import BaseSettings
+from pydantic_settings import BaseSettings, SettingsConfigDict
 from rich import print
 
 DEFAULT_PROJECT_STRUCTURE = {
@@ -23,19 +23,18 @@ class ProjectConfig(BaseSettings):
     aiida_default_python_path: Optional[Path] = None
     aiida_project_structure: dict = DEFAULT_PROJECT_STRUCTURE
     aiida_project_shell: str = "bash"
-
-    class Config:
-        env_file = Path.home() / Path(".aiida_project.env")
-        env_file_encoding = "utf-8"
+    model_config = SettingsConfigDict(
+        env_file=Path.home() / Path(".aiida_project.env"), env_file_encoding="utf-8"
+    )
 
     def is_not_initialised(self):
-        if dotenv.get_key(self.Config.env_file, "aiida_project_shell") is None:
+        if dotenv.get_key(self.model_config["env_file"], "aiida_project_shell") is None:
             print("[bold red]Error:[/bold red] The AiiDA project config has not been initialised.")
             print("[bold blue]Info:[/bold blue] Please run `aiida-project init` to get started.")
             return True
 
     def set_key(self, key, value):
-        dotenv.set_key(self.Config.env_file, key, value)
+        dotenv.set_key(self.model_config["env_file"], key, value)
 
     def get_key(self, key):
         return dotenv.get_key(key)

aiida_project/project/venv.py

@@ -2,24 +2,24 @@
 import subprocess
 from pathlib import Path
 
-from aiida_project.project.base import BaseProject
 from aiida_project.config import ProjectConfig
+from aiida_project.project.base import BaseProject
 
 
 class VenvProject(BaseProject):
     """An AiiDA environment based on `venv`."""
 
     _engine = "venv"
 
-    shell_activate_mapping = {
+    shell_activate_mapping: dict = {
         "bash": "activate",
         "zsh": "activate",
         "fish": "activate.fish",
     }
-    shell_deactivate_mapping = {
+    shell_deactivate_mapping: dict = {
         "bash": "deactivate () {",
         "zsh": "deactivate () {",
-        "fish": 'function deactivate  -d "Exit virtual environment and return to normal shell environment"',
+        "fish": 'function deactivate -d "Exit virtual environment"',
     }
 
     def create(self, python_path: Path) -> None:

aiida_project/shell.py

@@ -1,11 +1,13 @@
 """Functionality to support various shells with `aiida-project`."""
 from __future__ import annotations
+
 from enum import Enum
 from importlib import resources
-from pydantic import BaseModel, validator
-import yaml
 from pathlib import Path
 
+import yaml
+from pydantic import BaseModel, field_validator
+
 
 class ShellType(str, Enum):
     bash = "bash"
@@ -23,7 +25,8 @@ class Shell(BaseModel):
     deactivate: str
     """AiiDA-specific lines to add to the environment's deactivate script."""
 
-    @validator('config_file')
+    @field_validator("config_file")
+    @classmethod
     def resolve_config_file(cls, value: Path) -> Path:
         """Resolve the shell configuration file."""
         return Path.home() / value
@@ -33,6 +36,6 @@ def load_shell(shell_str: str) -> Shell:
     """Load the project class corresponding the engine type."""
     from . import data
 
-    with (resources.files(data) / "shell_fields.yaml").open('r') as handle:
+    with (resources.files(data) / "shell_fields.yaml").open("r") as handle:
         specs = yaml.safe_load(handle)
     return Shell(**specs[shell_str])

pyproject.toml

@@ -26,10 +26,12 @@ keywords = ["aiida", "workflows"]
 requires-python = ">=3.8"
 dependencies = [
   "py~=1.11",
-  "pydantic~=1.10,>=1.10.8",
+  "pydantic~=2.7",
+  "pydantic-settings~=2.2",
   "python-dotenv~=1.0",
   "typer[all]~=0.9",
   "pyyaml~=6.0",
+  "eval_type_backport",
 ]
 
 [project.urls]
@@ -53,6 +55,7 @@ line-length = 100
 module = [
   "dotenv",
   "pydantic",
+  "pydantic_settings",
   "yaml",
   "typer",
   "rich"