fix: expose moved format helper modules

Author: njzjz-bot

dpdata/__init__.py

@@ -1,5 +1,8 @@
 from __future__ import annotations
 
+from importlib import import_module
+from typing import TYPE_CHECKING
+
 from .bond_order_system import BondOrderSystem
 from .formats import lammps, md, vasp
 from .system import LabeledSystem, MultiSystems, System
@@ -9,10 +12,27 @@
 except ImportError:
     from .__about__ import __version__
 
+if TYPE_CHECKING:
+    from . import cp2k, gaussian, qe
+
+_FORMAT_MODULES = {"cp2k", "gaussian", "qe"}
+
+
+def __getattr__(name: str):
+    if name in _FORMAT_MODULES:
+        module = import_module(f"dpdata.formats.{name}")
+        globals()[name] = module
+        return module
+    raise AttributeError(f"module {__name__!r} has no attribute {name!r}")
+
+
 __all__ = [
     "__version__",
+    "cp2k",
+    "gaussian",
     "lammps",
     "md",
+    "qe",
     "vasp",
     "System",
     "LabeledSystem",

dpdata/formats/cp2k/__init__.py

@@ -0,0 +1,5 @@
+from __future__ import annotations
+
+from . import cell, output
+
+__all__ = ["cell", "output"]

dpdata/formats/gaussian/__init__.py

@@ -0,0 +1,5 @@
+from __future__ import annotations
+
+from . import fchk, gjf, log
+
+__all__ = ["fchk", "gjf", "log"]

dpdata/formats/qe/__init__.py

@@ -0,0 +1,5 @@
+from __future__ import annotations
+
+from . import scf, traj
+
+__all__ = ["scf", "traj"]