feat: initial dice-wrapper structure and working prototype

diceplayer/config/dice_config.py

@@ -1,6 +1,8 @@
 from pydantic import BaseModel, ConfigDict, Field
 from typing_extensions import Literal
 
+import random
+
 
 class DiceConfig(BaseModel):
     """
@@ -10,6 +12,9 @@ class DiceConfig(BaseModel):
     model_config = ConfigDict(
         frozen=True,
     )
+    nprocs: int = Field(
+        ..., description="Number of processes to use for the DICE simulations"
+    )
 
     ljname: str = Field(..., description="Name of the Lennard-Jones potential file")
     outname: str = Field(
@@ -48,4 +53,4 @@ class DiceConfig(BaseModel):
     randominit: str = Field(
         "first", description="Method for initializing the random number generator"
     )
-    seed: int | None = Field(None, description="Seed for the random number generator")
+    seed: int = Field(default_factory=lambda: random.randint(0, 2**32 - 1), description="Seed for the random number generator")

diceplayer/config/player_config.py

@@ -47,9 +47,6 @@ class PlayerConfig(BaseModel):
     switch_cyc: int = Field(..., description="Switch cycle configuration")
 
     mem: int = Field(None, description="Memory configuration")
-    nprocs: int = Field(
-        ..., description="Number of processors to use for the QM calculations"
-    )
     ncores: int = Field(
         ..., description="Number of cores to use for the QM calculations"
     )