Merge pull request #90 from amcadmus/devel

test with tf2.0. fix warnings. add ignores

Author: amcadmus

.gitignore

@@ -12,11 +12,14 @@
 *.gz
 *.bz2
 *.pyc
+tmp*
 CMakeCache.txt
 CMakeFiles
 *.bk
 build
 _skbuild
-deepmd.egg-info
+deepmd_kit.egg-info/
 dist
-
+.eggs
+_version.py
+venv*

.travis.yml

@@ -51,6 +51,16 @@ matrix:
       - CC=gcc-8
       - CXX=g++-8
       - TENSORFLOW_VERSION=1.14
+    - python: 3.7
+      env:
+      - CC=gcc-5
+      - CXX=g++-5
+      - TENSORFLOW_VERSION=2.0
+    - python: 3.7
+      env:
+      - CC=gcc-8
+      - CXX=g++-8
+      - TENSORFLOW_VERSION=2.0
 before_install:
   - pip install --upgrade pip
   - pip install --upgrade setuptools

examples/water/.gitignore

@@ -0,0 +1,3 @@
+data.*
+lcurve*ref
+tab.xvg

source/tests/test_tab_nonsmth.py

@@ -50,12 +50,12 @@ def __init__ (self,
                                             tab_info.shape,
                                             dtype = tf.float64,
                                             trainable = False,
-                                            initializer = tf.constant_initializer(tab_info, dtype = tf.float64))
+                                            initializer = tf.constant_initializer(tab_info))
             self.tab_data = tf.get_variable('t_tab_data',
                                             tab_data.shape,
                                             dtype = tf.float64,
                                             trainable = False,
-                                            initializer = tf.constant_initializer(tab_data, dtype = tf.float64))
+                                            initializer = tf.constant_initializer(tab_data))
 
     def comp_interpl_ef (self, 
                          dcoord, 

source/tests/test_tab_smooth.py

@@ -50,12 +50,12 @@ def __init__ (self,
                                             tab_info.shape,
                                             dtype = tf.float64,
                                             trainable = False,
-                                            initializer = tf.constant_initializer(tab_info, dtype = tf.float64))
+                                            initializer = tf.constant_initializer(tab_info))
             self.tab_data = tf.get_variable('t_tab_data',
                                             tab_data.shape,
                                             dtype = tf.float64,
                                             trainable = False,
-                                            initializer = tf.constant_initializer(tab_data, dtype = tf.float64))
+                                            initializer = tf.constant_initializer(tab_data))
 
     def comp_ef (self, 
                  dcoord,