Merge pull request #152 from njzjz/clean

clean codes

Author: amcadmus

setup.py

@@ -3,7 +3,7 @@
 from skbuild.cmaker import get_cmake_version
 from packaging.version import LegacyVersion
 from os import path, makedirs
-import imp,sys
+import imp
 
 readme_file = path.join(path.dirname(path.abspath(__file__)), 'README.md')
 try:

source/op/_prod_force_grad.py

@@ -3,23 +3,8 @@
 Gradients for prod force.
 """
 
-import os
-import platform
-import tensorflow as tf
 from tensorflow.python.framework import ops
-from tensorflow.python.ops import array_ops
-from tensorflow.python.ops import sparse_ops
-
-if platform.system() == "Windows":
-    ext = "dll"
-elif platform.system() == "Darwin":
-    ext = "dylib"
-else:
-    ext = "so"
-module_path = os.path.dirname(os.path.realpath(__file__))
-module_file = os.path.join(module_path, 'libop_grads.{}'.format(ext))
-assert (os.path.isfile(module_file)), 'module op_grads does not exist'
-op_grads_module = tf.load_op_library(module_file)
+from deepmd.env import op_grads_module
 
 @ops.RegisterGradient("ProdForce")
 def _prod_force_grad_cc (op, grad):    

source/op/_prod_force_se_a_grad.py

@@ -3,23 +3,8 @@
 Gradients for prod force.
 """
 
-import os
-import platform
-import tensorflow as tf
 from tensorflow.python.framework import ops
-from tensorflow.python.ops import array_ops
-from tensorflow.python.ops import sparse_ops
-
-if platform.system() == "Windows":
-    ext = "dll"
-elif platform.system() == "Darwin":
-    ext = "dylib"
-else:
-    ext = "so"
-module_path = os.path.dirname(os.path.realpath(__file__))
-module_file = os.path.join(module_path, 'libop_grads.{}'.format(ext))
-assert (os.path.isfile(module_file)), 'module op_grads does not exist'
-op_grads_module = tf.load_op_library(module_file)
+from deepmd.env import op_grads_module
 
 @ops.RegisterGradient("ProdForceSeA")
 def _prod_force_se_a_grad_cc (op, grad):    

source/op/_prod_force_se_r_grad.py

@@ -3,23 +3,8 @@
 Gradients for prod force.
 """
 
-import os
-import platform
-import tensorflow as tf
 from tensorflow.python.framework import ops
-from tensorflow.python.ops import array_ops
-from tensorflow.python.ops import sparse_ops
-
-if platform.system() == "Windows":
-    ext = "dll"
-elif platform.system() == "Darwin":
-    ext = "dylib"
-else:
-    ext = "so"
-module_path = os.path.dirname(os.path.realpath(__file__))
-module_file = os.path.join(module_path, 'libop_grads.{}'.format(ext))
-assert (os.path.isfile(module_file)), 'module op_grads does not exist'
-op_grads_module = tf.load_op_library(module_file)
+from deepmd.env import op_grads_module
 
 @ops.RegisterGradient("ProdForceSeR")
 def _prod_force_se_a_grad_cc (op, grad):    

source/op/_prod_virial_grad.py

@@ -3,23 +3,8 @@
 Gradients for prod virial.
 """
 
-import os
-import platform
-import tensorflow as tf
 from tensorflow.python.framework import ops
-from tensorflow.python.ops import array_ops
-from tensorflow.python.ops import sparse_ops
-
-if platform.system() == "Windows":
-    ext = "dll"
-elif platform.system() == "Darwin":
-    ext = "dylib"
-else:
-    ext = "so"
-module_path = os.path.dirname(os.path.realpath(__file__))
-module_file = os.path.join(module_path, 'libop_grads.{}'.format(ext))
-assert (os.path.isfile(module_file)), 'module op_grads does not exist'
-op_grads_module = tf.load_op_library(module_file)
+from deepmd.env import op_grads_module
 
 @ops.RegisterGradient("ProdVirial")
 def _prod_virial_grad_cc (op, grad, grad_atom):    

source/op/_prod_virial_se_a_grad.py

@@ -3,23 +3,8 @@
 Gradients for prod virial.
 """
 
-import os
-import platform
-import tensorflow as tf
 from tensorflow.python.framework import ops
-from tensorflow.python.ops import array_ops
-from tensorflow.python.ops import sparse_ops
-
-if platform.system() == "Windows":
-    ext = "dll"
-elif platform.system() == "Darwin":
-    ext = "dylib"
-else:
-    ext = "so"
-module_path = os.path.dirname(os.path.realpath(__file__))
-module_file = os.path.join(module_path, 'libop_grads.{}'.format(ext))
-assert (os.path.isfile(module_file)), 'module op_grads does not exist'
-op_grads_module = tf.load_op_library(module_file)
+from deepmd.env import op_grads_module
 
 @ops.RegisterGradient("ProdVirialSeA")
 def _prod_virial_se_a_grad_cc (op, grad, grad_atom):    

source/op/_prod_virial_se_r_grad.py

@@ -3,23 +3,8 @@
 Gradients for prod virial.
 """
 
-import os
-import platform
-import tensorflow as tf
 from tensorflow.python.framework import ops
-from tensorflow.python.ops import array_ops
-from tensorflow.python.ops import sparse_ops
-
-if platform.system() == "Windows":
-    ext = "dll"
-elif platform.system() == "Darwin":
-    ext = "dylib"
-else:
-    ext = "so"
-module_path = os.path.dirname(os.path.realpath(__file__))
-module_file = os.path.join(module_path, 'libop_grads.{}'.format(ext))
-assert (os.path.isfile(module_file)), 'module op_grads does not exist'
-op_grads_module = tf.load_op_library(module_file)
+from deepmd.env import op_grads_module
 
 @ops.RegisterGradient("ProdVirialSeR")
 def _prod_virial_se_a_grad_cc (op, grad, grad_atom):    

source/op/_soft_min_force_grad.py

@@ -3,23 +3,9 @@
 Gradients for soft min force
 """
 
-import os
-import platform
-import tensorflow as tf
 from tensorflow.python.framework import ops
-from tensorflow.python.ops import array_ops
-from tensorflow.python.ops import sparse_ops
+from deepmd.env import op_grads_module
 
-if platform.system() == "Windows":
-    ext = "dll"
-elif platform.system() == "Darwin":
-    ext = "dylib"
-else:
-    ext = "so"
-module_path = os.path.dirname(os.path.realpath(__file__))
-module_file = os.path.join(module_path, 'libop_grads.{}'.format(ext))
-assert (os.path.isfile(module_file)), 'module op_grads does not exist'
-op_grads_module = tf.load_op_library(module_file)
 
 @ops.RegisterGradient("SoftMinForce")
 def _soft_min_force_grad_cc (op, grad):    

source/op/_soft_min_virial_grad.py

@@ -3,23 +3,9 @@
 Gradients for soft min virial.
 """
 
-import os
-import platform
-import tensorflow as tf
 from tensorflow.python.framework import ops
-from tensorflow.python.ops import array_ops
-from tensorflow.python.ops import sparse_ops
+from deepmd.env import op_grads_module
 
-if platform.system() == "Windows":
-    ext = "dll"
-elif platform.system() == "Darwin":
-    ext = "dylib"
-else:
-    ext = "so"
-module_path = os.path.dirname(os.path.realpath(__file__))
-module_file = os.path.join(module_path, 'libop_grads.{}'.format(ext))
-assert (os.path.isfile(module_file)), 'module op_grads does not exist'
-op_grads_module = tf.load_op_library(module_file)
 
 @ops.RegisterGradient("SoftMinVirial")
 def _soft_min_virial_grad_cc (op, grad, grad_atom):    

source/scripts/config.py

@@ -1,6 +1,6 @@
 #!/usr/bin/env python3
 
-import glob,os,sys,json,argparse
+import glob,os,json
 import numpy as np