reorganize tests directory

pyproject.toml

@@ -130,7 +130,7 @@ test-command = [
     "python -m deepmd -h",
     "dp -h",
     "dp_ipi",
-    "pytest {project}/source/tests/test_lammps.py"
+    "pytest {project}/source/tests/tf/test_lammps.py"
 ]
 test-extras = ["cpu", "test", "lmp", "ipi"]
 build = ["cp310-*"]

source/tests/__init__.py

@@ -0,0 +1 @@
+# SPDX-License-Identifier: LGPL-3.0-or-later

source/tests/common/__init__.py

@@ -0,0 +1 @@
+# SPDX-License-Identifier: LGPL-3.0-or-later

source/tests/common/common.py

@@ -0,0 +1,5 @@
+# SPDX-License-Identifier: LGPL-3.0-or-later
+import pathlib
+
+tests_path = pathlib.Path(__file__).parent.absolute()
+infer_path = (tests_path.parent / "infer").absolute()

source/tests/test_argument_parser.py → source/tests/common/test_argument_parser.py

@@ -21,7 +21,7 @@
     Union,
 )
 
-from deepmd.tf.entrypoints.main import (
+from deepmd.main import (
     get_ll,
     parse_args,
 )

source/tests/test_examples.py → source/tests/common/test_examples.py

@@ -7,14 +7,14 @@
     Path,
 )
 
-from deepmd.tf.common import (
+from deepmd.common import (
     j_loader,
 )
-from deepmd.tf.utils.argcheck import (
+from deepmd.utils.argcheck import (
     normalize,
 )
 
-p_examples = Path(__file__).parent.parent.parent / "examples"
+p_examples = Path(__file__).parent.parent.parent.parent / "examples"
 
 input_files = (
     p_examples / "water" / "se_e2_a" / "input.json",

source/tests/test_sel_idx.py → source/tests/common/test_sel_idx.py

@@ -3,7 +3,7 @@
 
 import numpy as np
 
-from deepmd.tf.common import (
+from deepmd.common import (
     select_idx_map,
 )
 

source/tests/test_uni_infer.py → source/tests/common/test_uni_infer.py

@@ -4,22 +4,22 @@
 import os
 import unittest
 
-from common import (
-    tests_path,
-)
-
 from deepmd.infer.deep_pot import DeepPot as DeepPot
 from deepmd.tf.infer.deep_pot import DeepPot as DeepPotTF
 from deepmd.tf.utils.convert import (
     convert_pbtxt_to_pb,
 )
 
+from .common import (
+    infer_path,
+)
+
 
 class TestUniversalInfer(unittest.TestCase):
     @classmethod
     def setUpClass(cls):
         convert_pbtxt_to_pb(
-            str(tests_path / os.path.join("infer", "deeppot-r.pbtxt")), "deeppot.pb"
+            str(infer_path / os.path.join("deeppot-r.pbtxt")), "deeppot.pb"
         )
 
     def test_deep_pot(self):

source/tests/tf/__init__.py

@@ -0,0 +1 @@
+# SPDX-License-Identifier: LGPL-3.0-or-later

source/tests/common.py → source/tests/tf/common.py

@@ -28,6 +28,7 @@
     global_default_places = 5
 
 tests_path = pathlib.Path(__file__).parent.absolute()
+infer_path = (tests_path.parent / "infer").absolute()
 
 
 def j_loader(filename):

source/tests/test_adjust_sel.py → source/tests/tf/test_adjust_sel.py

@@ -6,20 +6,20 @@
 
 import numpy as np
 
-# from deepmd.tf.entrypoints.compress import compress
-from common import (
-    j_loader,
-    run_dp,
-    tests_path,
-)
-
 from deepmd.tf.env import (
     GLOBAL_NP_FLOAT_PRECISION,
 )
 from deepmd.tf.infer import (
     DeepPot,
 )
 
+# from deepmd.tf.entrypoints.compress import compress
+from .common import (
+    j_loader,
+    run_dp,
+    tests_path,
+)
+
 if GLOBAL_NP_FLOAT_PRECISION == np.float32:
     default_places = 4
 else:

source/tests/test_compat_input.py → source/tests/tf/test_compat_input.py

@@ -2,15 +2,15 @@
 import os
 import unittest
 
-from common import (
-    j_loader,
-)
-
 from deepmd.tf.utils.compat import (
     convert_input_v0_v1,
     convert_input_v1_v2,
 )
 
+from .common import (
+    j_loader,
+)
+
 
 class TestConvertInput(unittest.TestCase):
     def test_convert_smth(self):

source/tests/test_compressed_training.py → source/tests/tf/test_compressed_training.py

@@ -3,18 +3,19 @@
 import os
 import unittest
 
-# from deepmd.tf.entrypoints.compress import compress
-from common import (
-    j_loader,
-    run_dp,
-    tests_path,
-)
 from packaging.version import parse as parse_version
 
 from deepmd.tf.env import (
     tf,
 )
 
+# from deepmd.tf.entrypoints.compress import compress
+from .common import (
+    j_loader,
+    run_dp,
+    tests_path,
+)
+
 
 @unittest.skipIf(
     parse_version(tf.__version__) < parse_version("2"),

source/tests/test_data_large_batch.py → source/tests/tf/test_data_large_batch.py

@@ -3,10 +3,6 @@
 import unittest
 
 import numpy as np
-from common import (
-    gen_data,
-    j_loader,
-)
 from packaging.version import parse as parse_version
 
 from deepmd.tf.common import (
@@ -31,6 +27,11 @@
     TypeEmbedNet,
 )
 
+from .common import (
+    gen_data,
+    j_loader,
+)
+
 GLOBAL_ENER_FLOAT_PRECISION = tf.float64
 GLOBAL_TF_FLOAT_PRECISION = tf.float64
 GLOBAL_NP_FLOAT_PRECISION = np.float64

source/tests/test_data_modifier.py → source/tests/tf/test_data_modifier.py

@@ -2,11 +2,6 @@
 import os
 
 import numpy as np
-from common import (
-    Data,
-    j_loader,
-    tests_path,
-)
 
 from deepmd.tf.common import (
     data_requirement,
@@ -29,6 +24,12 @@
     DeepmdDataSystem,
 )
 
+from .common import (
+    Data,
+    j_loader,
+    tests_path,
+)
+
 if GLOBAL_NP_FLOAT_PRECISION == np.float32:
     global_default_fv_hh = 1e-2
     global_default_dw_hh = 1e-2

source/tests/test_deepdipole.py → source/tests/tf/test_deepdipole.py

@@ -4,12 +4,6 @@
 
 import ase.neighborlist
 import numpy as np
-from common import (
-    finite_difference,
-    strerch_box,
-    tests_path,
-    tf,
-)
 from packaging.version import parse as parse_version
 
 from deepmd.tf.env import (
@@ -22,6 +16,13 @@
     convert_pbtxt_to_pb,
 )
 
+from .common import (
+    finite_difference,
+    infer_path,
+    strerch_box,
+    tf,
+)
+
 if GLOBAL_NP_FLOAT_PRECISION == np.float32:
     default_places = 4
 else:
@@ -32,7 +33,7 @@ class TestDeepDipolePBC(unittest.TestCase):
     @classmethod
     def setUpClass(cls):
         convert_pbtxt_to_pb(
-            str(tests_path / os.path.join("infer", "deepdipole.pbtxt")), "deepdipole.pb"
+            str(infer_path / os.path.join("deepdipole.pbtxt")), "deepdipole.pb"
         )
         cls.dp = DeepDipole("deepdipole.pb")
 
@@ -111,7 +112,7 @@ class TestDeepDipoleNoPBC(unittest.TestCase):
     @classmethod
     def setUpClass(cls):
         convert_pbtxt_to_pb(
-            str(tests_path / os.path.join("infer", "deepdipole.pbtxt")), "deepdipole.pb"
+            str(infer_path / os.path.join("deepdipole.pbtxt")), "deepdipole.pb"
         )
         cls.dp = DeepDipole("deepdipole.pb")
 
@@ -185,7 +186,7 @@ class TestDeepDipoleNewPBC(unittest.TestCase):
     @classmethod
     def setUpClass(cls):
         convert_pbtxt_to_pb(
-            str(tests_path / os.path.join("infer", "deepdipole_new.pbtxt")),
+            str(infer_path / os.path.join("deepdipole_new.pbtxt")),
             "deepdipole_new.pb",
         )
         cls.dp = DeepDipole("deepdipole_new.pb")
@@ -656,7 +657,7 @@ class TestDeepDipoleFakePBC(unittest.TestCase):
     @classmethod
     def setUpClass(cls):
         convert_pbtxt_to_pb(
-            str(tests_path / os.path.join("infer", "deepdipole_fake.pbtxt")),
+            str(infer_path / os.path.join("deepdipole_fake.pbtxt")),
             "deepdipole_fake.pb",
         )
         cls.dp = DeepDipole("deepdipole_fake.pb")
@@ -1042,7 +1043,7 @@ class TestDeepDipoleNewPBCNeighborList(TestDeepDipoleNewPBC):
     @classmethod
     def setUpClass(cls):
         convert_pbtxt_to_pb(
-            str(tests_path / os.path.join("infer", "deepdipole_new.pbtxt")),
+            str(infer_path / os.path.join("deepdipole_new.pbtxt")),
             "deepdipole_new.pb",
         )
         cls.dp = DeepDipole(

source/tests/test_deepdos.py → source/tests/tf/test_deepdos.py

@@ -3,9 +3,6 @@
 import unittest
 
 import numpy as np
-from common import (
-    tests_path,
-)
 
 from deepmd.tf.env import (
     GLOBAL_NP_FLOAT_PRECISION,
@@ -17,6 +14,10 @@
     convert_pbtxt_to_pb,
 )
 
+from .common import (
+    infer_path,
+)
+
 if GLOBAL_NP_FLOAT_PRECISION == np.float32:
     default_places = 4
 else:
@@ -27,7 +28,7 @@ class TestDeepDOS(unittest.TestCase):
     @classmethod
     def setUpClass(cls):
         convert_pbtxt_to_pb(
-            str(tests_path / os.path.join("infer", "deepdos.pbtxt")), "deepdos.pb"
+            str(infer_path / os.path.join("deepdos.pbtxt")), "deepdos.pb"
         )
         cls.dp = DeepDOS("deepdos.pb")
 

source/tests/test_deepmd_data.py → source/tests/tf/test_deepmd_data.py

@@ -5,9 +5,6 @@
 import unittest
 
 import numpy as np
-from common import (
-    tests_path,
-)
 
 from deepmd.tf.env import (
     GLOBAL_NP_FLOAT_PRECISION,
@@ -16,6 +13,10 @@
     DeepmdData,
 )
 
+from .common import (
+    tests_path,
+)
+
 if GLOBAL_NP_FLOAT_PRECISION == np.float32:
     places = 6
 else:

source/tests/test_deeppolar.py → source/tests/tf/test_deeppolar.py

@@ -4,10 +4,6 @@
 
 import ase.neighborlist
 import numpy as np
-from common import (
-    tests_path,
-    tf,
-)
 from packaging.version import parse as parse_version
 
 from deepmd.tf.env import (
@@ -20,6 +16,11 @@
     convert_pbtxt_to_pb,
 )
 
+from .common import (
+    infer_path,
+    tf,
+)
+
 if GLOBAL_NP_FLOAT_PRECISION == np.float32:
     default_places = 4
 else:
@@ -30,7 +31,7 @@ class TestDeepPolarPBC(unittest.TestCase):
     @classmethod
     def setUpClass(cls):
         convert_pbtxt_to_pb(
-            str(tests_path / os.path.join("infer", "deeppolar.pbtxt")), "deeppolar.pb"
+            str(infer_path / os.path.join("deeppolar.pbtxt")), "deeppolar.pb"
         )
         cls.dp = DeepPolar("deeppolar.pb")
 
@@ -121,7 +122,7 @@ class TestDeepPolarNoPBC(unittest.TestCase):
     @classmethod
     def setUpClass(cls):
         convert_pbtxt_to_pb(
-            str(tests_path / os.path.join("infer", "deeppolar.pbtxt")), "deeppolar.pb"
+            str(infer_path / os.path.join("deeppolar.pbtxt")), "deeppolar.pb"
         )
         cls.dp = DeepPolar("deeppolar.pb")
 
@@ -207,7 +208,7 @@ class TestDeepPolarNewPBC(unittest.TestCase):
     @classmethod
     def setUpClass(cls):
         convert_pbtxt_to_pb(
-            str(tests_path / os.path.join("infer", "deeppolar_new.pbtxt")),
+            str(infer_path / os.path.join("deeppolar_new.pbtxt")),
             "deeppolar_new.pb",
         )
         cls.dp = DeepPolar("deeppolar_new.pb")
@@ -1093,7 +1094,7 @@ class TestDeepPolarNewPBCNeighborList(unittest.TestCase):
     @classmethod
     def setUpClass(cls):
         convert_pbtxt_to_pb(
-            str(tests_path / os.path.join("infer", "deeppolar_new.pbtxt")),
+            str(infer_path / os.path.join("deeppolar_new.pbtxt")),
             "deeppolar_new.pb",
         )
         cls.dp = DeepPolar(