From 9aadf154ec3fd0b7f3eec634f0a38faba833811a Mon Sep 17 00:00:00 2001
From: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
Date: Fri, 31 May 2024 18:30:08 -0400
Subject: [PATCH] ci: bump ase to 3.23.0

---
 .github/workflows/test_cc.yml   | 4 +---
 .github/workflows/test_cuda.yml | 2 +-
 pyproject.toml                  | 4 +++-
 3 files changed, 5 insertions(+), 5 deletions(-)

diff --git a/.github/workflows/test_cc.yml b/.github/workflows/test_cc.yml
index 2853a420c9..799a55e9ff 100644
--- a/.github/workflows/test_cc.yml
+++ b/.github/workflows/test_cc.yml
@@ -47,11 +47,9 @@ jobs:
         CMAKE_GENERATOR: Ninja
         CXXFLAGS: ${{ matrix.check_memleak && '-fsanitize=leak' || '' }}
     # test lammps
-    # ASE issue: https://gitlab.com/ase/ase/-/merge_requests/2843
-    # TODO: remove ase version when ase has new release
     - run: |
         export TENSORFLOW_ROOT=$(python -c 'import importlib,pathlib;print(pathlib.Path(importlib.util.find_spec("tensorflow").origin).parent)')
-        python -m uv pip install --system -e .[cpu,test,lmp] mpi4py "ase @ https://gitlab.com/ase/ase/-/archive/8c5aa5fd6448c5cfb517a014dccf2b214a9dfa8f/ase-8c5aa5fd6448c5cfb517a014dccf2b214a9dfa8f.tar.gz"
+        python -m uv pip install --system -e .[cpu,test,lmp] mpi4py
       env:
         DP_BUILD_TESTING: 1
       if: ${{ !matrix.check_memleak }}
diff --git a/.github/workflows/test_cuda.yml b/.github/workflows/test_cuda.yml
index 3cb75ecf1a..d7ff72bafa 100644
--- a/.github/workflows/test_cuda.yml
+++ b/.github/workflows/test_cuda.yml
@@ -50,7 +50,7 @@ jobs:
     - run: python -m uv pip install --system "tensorflow>=2.15.0rc0" "torch>=2.2.0"
     - run: |
         export TENSORFLOW_ROOT=$(python -c 'import importlib,pathlib;print(pathlib.Path(importlib.util.find_spec("tensorflow").origin).parent)')
-        python -m uv pip install --system -v -e .[gpu,test,lmp,cu12,torch] mpi4py "ase @ https://gitlab.com/ase/ase/-/archive/8c5aa5fd6448c5cfb517a014dccf2b214a9dfa8f/ase-8c5aa5fd6448c5cfb517a014dccf2b214a9dfa8f.tar.gz"
+        python -m uv pip install --system -v -e .[gpu,test,lmp,cu12,torch] mpi4py
       env:
         DP_VARIANT: cuda
         DP_ENABLE_NATIVE_OPTIMIZATION: 1
diff --git a/pyproject.toml b/pyproject.toml
index 2f04857daf..75aab35936 100644
--- a/pyproject.toml
+++ b/pyproject.toml
@@ -69,7 +69,9 @@ repository = "https://github.com/deepmodeling/deepmd-kit"
 [tool.deepmd_build_backend.optional-dependencies]
 test = [
     "dpdata>=0.2.7",
-    "ase",
+    # ASE issue: https://gitlab.com/ase/ase/-/merge_requests/2843
+    # fixed in 3.23.0
+    "ase>=3.23.0",
     "pytest",
     "pytest-cov",
     "pytest-sugar",