Merge pull request #347 from FAIRmat-NFDI/uv-compile-and-install

Switch to uv compile and install

Author: lukaspie

.github/workflows/build_docs.yml

@@ -34,8 +34,8 @@ jobs:
 
       - name: Install Dependencies
         run: |
-          python -m pip install --upgrade pip
-          pip install ".[docs]"
+          curl -LsSf https://astral.sh/uv/install.sh | sh
+          uv pip install --system ".[docs]"
 
       - name: Build and Deploy
         run: |

.github/workflows/plugin_test.yaml

@@ -49,11 +49,11 @@ jobs:
           python-version: 3.9
       - name: Install dependencies
         run: |
-          python -m pip install --upgrade pip
-          python -m pip install coverage coveralls
+          curl -LsSf https://astral.sh/uv/install.sh | sh
+          uv pip install --system coverage coveralls
       - name: Install package
         run: |
-          pip install ".[dev]"
+          uv pip install --system ".[dev]"
       - name: Clone ${{ matrix.plugin }} repo
         uses: actions/checkout@v4
         with:
@@ -63,8 +63,8 @@ jobs:
           ref: ${{ matrix.branch }}
       - name: Install ${{ matrix.plugin }}
         run: |
-          cd ${{ matrix.plugin }}
-          pip install .
+          cd ${{ matrix.plugin }} 
+          uv pip install --system .
       - name: Run ${{ matrix.plugin }} tests
         run: |
           cd ${{ matrix.plugin }}

.github/workflows/publish.yml

@@ -27,8 +27,8 @@ jobs:
           python-version: "3.x"
       - name: Install dependencies
         run: |
-          python -m pip install --upgrade pip
-          pip install build
+          curl -LsSf https://astral.sh/uv/install.sh | sh
+          uv pip install --system build
       - name: Build package
         run: python -m build
       - name: Publish package

.github/workflows/pylint.yml

@@ -15,13 +15,13 @@ jobs:
         run: |
           git submodule sync --recursive
           git submodule update --init --recursive --jobs=4
-          python -m pip install --upgrade pip
+          curl -LsSf https://astral.sh/uv/install.sh | sh
       - name: Install package
         run: |
-          python -m pip install --no-deps .
+          uv pip install --system --no-deps .
       - name: Install dev requirements
         run: |
-          python -m pip install -r dev-requirements.txt
+          uv pip install --system -r dev-requirements.txt
       - name: ruff
         run: |
           ruff src/pynxtools tests

.github/workflows/pytest.yml

@@ -28,11 +28,11 @@ jobs:
           python-version: ${{ matrix.python_version }}
       - name: Install dependencies
         run: |
-          python -m pip install --upgrade pip
-          python -m pip install coverage coveralls
+          curl -LsSf https://astral.sh/uv/install.sh | sh
+          uv pip install --system coverage coveralls
       - name: Install package
         run: |
-          pip install ".[dev]"
+          uv pip install --system ".[dev]"
       - name: Test with pytest
         run: |
           coverage run -m pytest -sv --show-capture=no tests

dev-requirements.txt

@@ -1,17 +1,11 @@
-#
-# This file is autogenerated by pip-compile with Python 3.10
-# by the following command:
-#
-#    pip-compile --extra=dev --extra=docs --output-file=dev-requirements.txt pyproject.toml
-#
+# This file was autogenerated by uv via the following command:
+#    uv pip compile --extra=dev --extra=docs --output-file=dev-requirements.txt pyproject.toml
 anytree==2.12.1
     # via pynxtools (pyproject.toml)
 ase==3.22.1
     # via pynxtools (pyproject.toml)
 babel==2.14.0
     # via mkdocs-material
-build==1.1.1
-    # via pip-tools
 certifi==2024.2.2
     # via requests
 cfgv==3.4.0
@@ -20,23 +14,21 @@ charset-normalizer==3.3.2
     # via requests
 click==8.1.7
     # via
+    #   pynxtools (pyproject.toml)
     #   click-default-group
     #   mkdocs
     #   mkdocs-click
-    #   pip-tools
-    #   pynxtools (pyproject.toml)
 click-default-group==1.2.4
     # via pynxtools (pyproject.toml)
 colorama==0.4.6
     # via
-    #   build
     #   click
     #   mkdocs
     #   mkdocs-material
     #   pytest
 contourpy==1.2.0
     # via matplotlib
-coverage[toml]==7.4.4
+coverage==7.4.4
     # via pytest-cov
 cycler==0.12.1
     # via matplotlib
@@ -83,13 +75,13 @@ matplotlib==3.8.3
     # via ase
 mergedeep==1.3.4
     # via
-    #   mkdocs
     #   pynxtools (pyproject.toml)
+    #   mkdocs
 mkdocs==1.5.3
     # via
+    #   pynxtools (pyproject.toml)
     #   mkdocs-macros-plugin
     #   mkdocs-material
-    #   pynxtools (pyproject.toml)
 mkdocs-click==0.8.1
     # via pynxtools (pyproject.toml)
 mkdocs-macros-plugin==1.0.5
@@ -98,8 +90,8 @@ mkdocs-material==9.5.15
     # via pynxtools (pyproject.toml)
 mkdocs-material-extensions==1.3.1
     # via
-    #   mkdocs-material
     #   pynxtools (pyproject.toml)
+    #   mkdocs-material
 mypy==1.9.0
     # via pynxtools (pyproject.toml)
 mypy-extensions==1.0.0
@@ -108,17 +100,16 @@ nodeenv==1.8.0
     # via pre-commit
 numpy==1.26.4
     # via
+    #   pynxtools (pyproject.toml)
     #   ase
     #   contourpy
     #   h5py
     #   matplotlib
     #   pandas
-    #   pynxtools (pyproject.toml)
     #   scipy
     #   xarray
 packaging==24.0
     # via
-    #   build
     #   matplotlib
     #   mkdocs
     #   pytest
@@ -133,8 +124,6 @@ pathspec==0.12.1
     # via mkdocs
 pillow==10.2.0
     # via matplotlib
-pip-tools==7.4.1
-    # via pynxtools (pyproject.toml)
 platformdirs==4.2.0
     # via
     #   mkdocs
@@ -149,10 +138,6 @@ pymdown-extensions==10.7.1
     # via mkdocs-material
 pyparsing==3.1.2
     # via matplotlib
-pyproject-hooks==1.0.0
-    # via
-    #   build
-    #   pip-tools
 pytest==8.1.1
     # via
     #   pynxtools (pyproject.toml)
@@ -172,11 +157,11 @@ pytz==2024.1
     # via pandas
 pyyaml==6.0.1
     # via
+    #   pynxtools (pyproject.toml)
     #   mkdocs
     #   mkdocs-macros-plugin
     #   pre-commit
     #   pymdown-extensions
-    #   pynxtools (pyproject.toml)
     #   pyyaml-env-tag
 pyyaml-env-tag==0.1
     # via mkdocs
@@ -188,6 +173,8 @@ ruff==0.3.4
     # via pynxtools (pyproject.toml)
 scipy==1.12.0
     # via ase
+setuptools==70.0.0
+    # via nodeenv
 six==1.16.0
     # via
     #   anytree
@@ -198,11 +185,8 @@ termcolor==2.4.0
     # via mkdocs-macros-plugin
 tomli==2.0.1
     # via
-    #   build
     #   coverage
     #   mypy
-    #   pip-tools
-    #   pyproject-hooks
     #   pytest
 types-pytz==2024.1.0.20240203
     # via pynxtools (pyproject.toml)
@@ -218,17 +202,13 @@ urllib3==2.2.1
     # via
     #   requests
     #   types-requests
+uv==0.2.9
+    # via pynxtools (pyproject.toml)
 virtualenv==20.25.1
     # via pre-commit
 watchdog==4.0.0
     # via mkdocs
-wheel==0.43.0
-    # via pip-tools
 xarray==2024.2.0
     # via pynxtools (pyproject.toml)
 zipp==3.18.1
     # via importlib-metadata
-
-# The following packages are considered to be unsafe in a requirements file:
-# pip
-# setuptools

pyproject.toml

@@ -35,6 +35,7 @@ dependencies = [
     "importlib-metadata",
     "lxml>=4.9.1",
     "anytree",
+    "setuptools>=64.0.1"
 ]
 
 [project.urls]
@@ -59,7 +60,7 @@ dev = [
     "types-pyyaml",
     "types-pytz",
     "types-requests",
-    "pip-tools",
+    "uv",
     "pre-commit",
 ]
 convert = [