From c6f1b56dc5bc4af630c8e0faab7d52f1a9b6cab2 Mon Sep 17 00:00:00 2001
From: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
Date: Mon, 15 Apr 2024 22:42:50 -0400
Subject: [PATCH 1/3] CI: setup uv

---
 .github/workflows/test.yml        | 6 ++----
 .github/workflows/test_import.yml | 3 ++-
 2 files changed, 4 insertions(+), 5 deletions(-)

diff --git a/.github/workflows/test.yml b/.github/workflows/test.yml
index e4d9a91fb..56627cf39 100644
--- a/.github/workflows/test.yml
+++ b/.github/workflows/test.yml
@@ -18,11 +18,9 @@ jobs:
       uses: actions/setup-python@v5
       with:
         python-version: ${{ matrix.python-version }}
-    # install rdkit and openbabel
-    - name: Install rdkit
-      run: python -m pip install rdkit openbabel-wheel
+    - run: python -m pip install uv
     - name: Install dependencies
-      run: python -m pip install .[amber,ase,pymatgen] coverage ./tests/plugin
+      run: python -m uv pip install --system .[amber,ase,pymatgen] coverage ./tests/plugin rdkit openbabel-wheel
     - name: Test
       run: cd tests && coverage run --source=../dpdata -m unittest && cd .. && coverage combine tests/.coverage && coverage report
     - name: Run codecov
diff --git a/.github/workflows/test_import.yml b/.github/workflows/test_import.yml
index 6ab0dbe2d..d7af658db 100644
--- a/.github/workflows/test_import.yml
+++ b/.github/workflows/test_import.yml
@@ -13,5 +13,6 @@ jobs:
       with:
         python-version: '3.9'
         architecture: 'x64'
-    - run: python -m pip install .
+    - run: python -m pip install uv
+    - run: python -m uv pip install .
     - run: python -c 'import dpdata'

From cd8dc57d9de1203d712489ee534d1cfbb585d5e4 Mon Sep 17 00:00:00 2001
From: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
Date: Fri, 19 Apr 2024 18:15:04 -0400
Subject: [PATCH 2/3] Update test.yml

---
 .github/workflows/test.yml | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/.github/workflows/test.yml b/.github/workflows/test.yml
index 56627cf39..4a17fcde1 100644
--- a/.github/workflows/test.yml
+++ b/.github/workflows/test.yml
@@ -18,9 +18,9 @@ jobs:
       uses: actions/setup-python@v5
       with:
         python-version: ${{ matrix.python-version }}
-    - run: python -m pip install uv
+    - run: curl -LsSf https://astral.sh/uv/install.sh | sh
     - name: Install dependencies
-      run: python -m uv pip install --system .[amber,ase,pymatgen] coverage ./tests/plugin rdkit openbabel-wheel
+      run: uv pip install --system .[amber,ase,pymatgen] coverage ./tests/plugin rdkit openbabel-wheel
     - name: Test
       run: cd tests && coverage run --source=../dpdata -m unittest && cd .. && coverage combine tests/.coverage && coverage report
     - name: Run codecov

From 7ac5be5245e6977b601e1bc7acfc5396f158bb6b Mon Sep 17 00:00:00 2001
From: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
Date: Fri, 19 Apr 2024 18:17:17 -0400
Subject: [PATCH 3/3] Update test_import.yml

---
 .github/workflows/test_import.yml | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/.github/workflows/test_import.yml b/.github/workflows/test_import.yml
index d7af658db..9f429819d 100644
--- a/.github/workflows/test_import.yml
+++ b/.github/workflows/test_import.yml
@@ -14,5 +14,5 @@ jobs:
         python-version: '3.9'
         architecture: 'x64'
     - run: python -m pip install uv
-    - run: python -m uv pip install .
+    - run: python -m uv pip install --system .
     - run: python -c 'import dpdata'