Merge branch 'devel' into ruff-format

Signed-off-by: Jinzhe Zeng <[email protected]>
njzjz · Oct 30, 2023 · b7f2ce4 · b7f2ce4
2 parents 3132f1e + 1429e46
commit b7f2ce4
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Showing 6 changed files with 20 additions and 10 deletions.
diff --git a/.github/workflows/test_cc.yml b/.github/workflows/test_cc.yml
@@ -30,7 +30,7 @@ jobs:
     # TODO: remove ase version when ase has new release
     - run: |
         python -m pip install -U pip
-        python -m pip install -e .[cpu,test,lmp] "ase @ https://github.com/rosswhitfield/ase/archive/edd03571aff6944b77b4a4b055239f3c3e4eeb66.zip"
+        python -m pip install -e .[cpu,test,lmp] "ase @ https://gitlab.com/ase/ase/-/archive/8c5aa5fd6448c5cfb517a014dccf2b214a9dfa8f/ase-8c5aa5fd6448c5cfb517a014dccf2b214a9dfa8f.tar.gz"
       env:
         DP_BUILD_TESTING: 1
     - run: pytest --cov=deepmd source/lmp/tests

diff --git a/.github/workflows/test_cuda.yml b/.github/workflows/test_cuda.yml
@@ -36,7 +36,7 @@ jobs:
     - name: Set PyPI mirror for Aliyun cloud machine
       run: python -m pip config --user set global.index-url https://mirrors.aliyun.com/pypi/simple/
     - run: python -m pip install -U "pip>=21.3.1,!=23.0.0"
-    - run: python -m pip install -v -e .[gpu,test,lmp,cu11] "ase @ https://github.com/rosswhitfield/ase/archive/edd03571aff6944b77b4a4b055239f3c3e4eeb66.zip"
+    - run: python -m pip install -v -e .[gpu,test,lmp,cu11] "ase @ https://gitlab.com/ase/ase/-/archive/8c5aa5fd6448c5cfb517a014dccf2b214a9dfa8f/ase-8c5aa5fd6448c5cfb517a014dccf2b214a9dfa8f.tar.gz"
       env:
         DP_BUILD_TESTING: 1
         DP_VARIANT: cuda

diff --git a/backend/find_tensorflow.py b/backend/find_tensorflow.py
@@ -114,9 +114,9 @@ def get_tf_requirement(tf_version: str = "") -> dict:
 
     extra_requires = []
     extra_select = {}
-    if not (tf_version == "" or tf_version in SpecifierSet(">=2.12")):
+    if not (tf_version == "" or tf_version in SpecifierSet(">=2.12", prereleases=True)):
         extra_requires.append("protobuf<3.20")
-    if tf_version == "" or tf_version in SpecifierSet(">=1.15"):
+    if tf_version == "" or tf_version in SpecifierSet(">=1.15", prereleases=True):
         extra_select["mpi"] = [
             "horovod",
             "mpi4py",
@@ -138,9 +138,9 @@ def get_tf_requirement(tf_version: str = "") -> dict:
             ],
             **extra_select,
         }
-    elif tf_version in SpecifierSet("<1.15") or tf_version in SpecifierSet(
-        ">=2.0,<2.1"
-    ):
+    elif tf_version in SpecifierSet(
+        "<1.15", prereleases=True
+    ) or tf_version in SpecifierSet(">=2.0,<2.1", prereleases=True):
         return {
             "cpu": [
                 f"tensorflow=={tf_version}",

diff --git a/deepmd/utils/tabulate.py b/deepmd/utils/tabulate.py
@@ -85,7 +85,10 @@ def __init__(
         # functype
         if activation_fn == ACTIVATION_FN_DICT["tanh"]:
             self.functype = 1
-        elif activation_fn == ACTIVATION_FN_DICT["gelu"]:
+        elif activation_fn in (
+            ACTIVATION_FN_DICT["gelu"],
+            ACTIVATION_FN_DICT["gelu_tf"],
+        ):
             self.functype = 2
         elif activation_fn == ACTIVATION_FN_DICT["relu"]:
             self.functype = 3

diff --git a/examples/infer_water/convert_model.c b/examples/infer_water/convert_model.c
@@ -0,0 +1,7 @@
+// SPDX-License-Identifier: LGPL-3.0-or-later
+#include "deepmd/c_api.h"
+
+int main() {
+  DP_ConvertPbtxtToPb("../../source/tests/infer/deeppot.pbtxt", "graph.pb");
+  return 0;
+}
diff --git a/source/install/docker_test_package_c.sh b/source/install/docker_test_package_c.sh
@@ -5,11 +5,11 @@ SCRIPT_PATH=$(dirname $(realpath -s $0))
 
 # assume libdeepmd_c.tar.gz has been created
 
-wget "https://drive.google.com/uc?export=download&id=1xldLhzm4uSkq6iPohSycNWAsWqKAenKX" -O ${SCRIPT_PATH}/../../examples/infer_water/"graph.pb"
-
 docker run --rm -v ${SCRIPT_PATH}/../..:/root/deepmd-kit -w /root/deepmd-kit \
 	gcc:4.9 \
 	/bin/sh -c "tar vxzf libdeepmd_c.tar.gz \
             && cd examples/infer_water \
+            && gcc convert_model.c -std=c99 -L ../../libdeepmd_c/lib -I ../../libdeepmd_c/include -Wl,--no-as-needed -ldeepmd_c -Wl,-rpath=../../libdeepmd_c/lib -o convert_model \
             && gcc infer_water.c -std=c99 -L ../../libdeepmd_c/lib -I ../../libdeepmd_c/include -Wl,--no-as-needed -ldeepmd_c -Wl,-rpath=../../libdeepmd_c/lib -o infer_water \
+            && ./convert_model \
             && ./infer_water"