breaking: move deepmd to deepmd.tf (#3177)

Signed-off-by: Jinzhe Zeng <[email protected]>

Author: njzjz

backend/read_env.py

@@ -78,7 +78,7 @@ def get_argument_from_env() -> Tuple[str, list, list, dict, str]:
         cmake_args.append(f"-DLAMMPS_VERSION={dp_lammps_version}")
     if dp_ipi == "1":
         cmake_args.append("-DENABLE_IPI:BOOL=TRUE")
-        extra_scripts["dp_ipi"] = "deepmd.entrypoints.ipi:dp_ipi"
+        extra_scripts["dp_ipi"] = "deepmd.tf.entrypoints.ipi:dp_ipi"
 
     tf_install_dir, _ = find_tensorflow()
     tf_version = get_tf_version(tf_install_dir)

deepmd/__init__.py

@@ -1,61 +1,11 @@
 # SPDX-License-Identifier: LGPL-3.0-or-later
-"""Root of the deepmd package, exposes all public classes and submodules."""
-
-try:
-    from importlib import (
-        metadata,
-    )
-except ImportError:  # for Python<3.8
-    import importlib_metadata as metadata
-
-import deepmd.utils.network as network
-
-from . import (
-    cluster,
-    descriptor,
-    fit,
-    loss,
-    nvnmd,
-    utils,
-)
-from .env import (
-    set_mkl,
-)
-from .infer import (
-    DeepEval,
-    DeepPotential,
-)
-from .infer.data_modifier import (
-    DipoleChargeModifier,
-)
-
-set_mkl()
-
 try:
     from deepmd_utils._version import version as __version__
 except ImportError:
     from .__about__ import (
         __version__,
     )
 
-# load third-party plugins
-try:
-    eps = metadata.entry_points(group="deepmd")
-except TypeError:
-    eps = metadata.entry_points().get("deepmd", [])
-for ep in eps:
-    ep.load()
-
 __all__ = [
     "__version__",
-    "descriptor",
-    "fit",
-    "loss",
-    "utils",
-    "cluster",
-    "network",
-    "DeepEval",
-    "DeepPotential",
-    "DipoleChargeModifier",
-    "nvnmd",
 ]

deepmd/__about__.py renamed to deepmd/tf/__about__.py

@@ -0,0 +1,61 @@
+# SPDX-License-Identifier: LGPL-3.0-or-later
+"""Root of the deepmd package, exposes all public classes and submodules."""
+
+try:
+    from importlib import (
+        metadata,
+    )
+except ImportError:  # for Python<3.8
+    import importlib_metadata as metadata
+
+import deepmd.tf.utils.network as network
+
+from . import (
+    cluster,
+    descriptor,
+    fit,
+    loss,
+    nvnmd,
+    utils,
+)
+from .env import (
+    set_mkl,
+)
+from .infer import (
+    DeepEval,
+    DeepPotential,
+)
+from .infer.data_modifier import (
+    DipoleChargeModifier,
+)
+
+set_mkl()
+
+try:
+    from deepmd_utils._version import version as __version__
+except ImportError:
+    from .__about__ import (
+        __version__,
+    )
+
+# load third-party plugins
+try:
+    eps = metadata.entry_points(group="deepmd")
+except TypeError:
+    eps = metadata.entry_points().get("deepmd", [])
+for ep in eps:
+    ep.load()
+
+__all__ = [
+    "__version__",
+    "descriptor",
+    "fit",
+    "loss",
+    "utils",
+    "cluster",
+    "network",
+    "DeepEval",
+    "DeepPotential",
+    "DipoleChargeModifier",
+    "nvnmd",
+]

deepmd/tf/__init__.py

@@ -10,7 +10,7 @@
     Tuple,
 )
 
-from deepmd.env import (
+from deepmd.tf.env import (
     tf,
 )
 

deepmd/__main__.py renamed to deepmd/tf/__main__.py

@@ -15,7 +15,7 @@
 
 import hostlist
 
-from deepmd.cluster import (
+from deepmd.tf.cluster import (
     local,
 )
 

deepmd/calculator.py renamed to deepmd/tf/calculator.py

@@ -17,7 +17,7 @@
     tensor_util,
 )
 
-from deepmd.env import (
+from deepmd.tf.env import (
     GLOBAL_TF_FLOAT_PRECISION,
     op_module,
     tf,