migrate all deps installs to uv

.github/workflows/deploy.yml

@@ -27,10 +27,10 @@ jobs:
 
       - name: Install dependencies
         run: |
-          python -m pip install --upgrade pip
+          pip install uv
+          uv pip install .[strict,docs] --system
           # ase needed to get FrechetCellFilter used by ML force fields
-          pip install git+https://gitlab.com/ase/ase
-          pip install .[strict,docs]
+          uv pip install --upgrade 'git+https://gitlab.com/ase/ase' --system
 
       - name: Build
         run: sphinx-build docs docs_build

.github/workflows/docs.yml

@@ -32,10 +32,10 @@ jobs:
 
       - name: Install dependencies
         run: |
-          python -m pip install --upgrade pip
+          pip install uv
+          uv pip install .[strict,docs] --system
           # ase needed to get FrechetCellFilter used by ML force fields
-          pip install git+https://gitlab.com/ase/ase
-          pip install .[strict,docs]
+          uv pip install --upgrade 'git+https://gitlab.com/ase/ase' --system
 
       - name: Build
         run: sphinx-build docs docs_build

.github/workflows/testing.yml

@@ -14,12 +14,8 @@ jobs:
       - uses: actions/checkout@v4
 
       - uses: actions/setup-python@v5
-        with:
-          python-version: "3.9"
-          cache: pip
-          cache-dependency-path: pyproject.toml
 
-      - uses: pre-commit/action@v3.0.0
+      - uses: pre-commit/action@v3
 
   test:
     services:
@@ -41,7 +37,7 @@ jobs:
       - name: Install dependencies
         run: |
           pip install uv
-          sudo uv pip install llvmlite==0.42.0 --system # TODO remove, llvmlite==0.35.0 install fails with FileNotFoundError: [Errno 2] No such file or directory: 'llvm-config'
+          uv pip install llvmlite==0.42.0 --system # TODO remove, llvmlite==0.35.0 install fails with FileNotFoundError: [Errno 2] No such file or directory: 'llvm-config'
           uv pip install .[strict,tests] --system --prerelease=allow
           # latest ase needed to get FrechetCellFilter used by ML force fields
           # TODO remove next line installing ase from main branch when FrechetCellFilter is released
@@ -73,10 +69,10 @@ jobs:
 
       - name: Install dependencies
         run: |
-          python -m pip install --upgrade pip
+          pip install uv
+          uv pip install .[strict,docs] --system
           # ase needed to get FrechetCellFilter used by ML force fields
-          pip install git+https://gitlab.com/ase/ase
-          pip install .[strict,docs]
+          uv pip install --upgrade 'git+https://gitlab.com/ase/ase' --system
 
       - name: Build
         run: sphinx-build docs docs_build