Fix tests, add CI builds for python 3.8-3.13, Switch to pyproject.toml

.github/workflows/publish-pypi.yml

@@ -7,20 +7,28 @@ on:
 jobs:
   deploy:
     runs-on: ubuntu-latest
+
     steps:
-    - uses: actions/checkout@v3
+    - name: Checkout repository
+      uses: actions/checkout@v3
+
     - name: Set up Python
       uses: actions/setup-python@v4
       with:
-        python-version: '3.8'
-    - name: Install dependencies
+        python-version: '3.10'
+
+    - name: Upgrade pip and install build tools
       run: |
         python -m pip install --upgrade pip
-        pip install setuptools wheel twine
-    - name: Build and publish
+        pip install build twine
+
+    - name: Build package
+      run: |
+        python -m build  # builds both sdist and wheel in dist/
+
+    - name: Publish to PyPI
       env:
         TWINE_USERNAME: ${{ secrets.PYPI_USERNAME }}
         TWINE_PASSWORD: ${{ secrets.PYPI_PASSWORD }}
       run: |
-        python setup.py sdist bdist_wheel
-        twine upload dist/*
+        python -m twine upload dist/*

.github/workflows/python-ci.yml

@@ -1,6 +1,3 @@
-# This workflow will install Python dependencies, run tests and lint with a variety of Python versions
-# For more information see: https://help.github.com/actions/language-and-framework-guides/using-python-with-github-actions
-
 name: CI
 
 on:
@@ -11,52 +8,48 @@ on:
 
 jobs:
   build:
-
     runs-on: ubuntu-latest
     strategy:
       matrix:
-        python-version: [3.8]
+         python-version: ["3.8","3.9","3.10","3.11","3.12","3.13"]
 
     steps:
-    - uses: actions/checkout@v3
+    - name: Checkout repository
+      uses: actions/checkout@v3
+
     - name: Set up Python ${{ matrix.python-version }}
       uses: actions/setup-python@v4
       with:
         python-version: ${{ matrix.python-version }}
 
-    - name: Install dependencies
-      run: |
-        python -m pip install --upgrade pip
-        pip install pytest
-        pip install zenodo_get
-        if [ -f requirements.txt ]; then pip install -r requirements.txt; fi
+    - name: Upgrade pip and build tools
+      run: python -m pip install --upgrade pip setuptools wheel build
 
-    - name: Install brukerapi
+    - name: Install brukerapi with dev dependencies
       run: |
         git clone https://github.com/isi-nmr/brukerapi-python.git
         cd brukerapi-python
-        python setup.py build
-        python setup.py install
+        pip install pytest zenodo_get
+        pip install -e .[dev] --use-pep517
 
     - name: Download test data from Zenodo
-      run: |
-        cd brukerapi-python/test
-        zenodo_get 10.5281/zenodo.4522220
+      working-directory: brukerapi-python/test
+      run: python -m zenodo_get 10.5281/zenodo.4522220
 
     - name: Test using the PV5.1 data set
+      working-directory: brukerapi-python/test
       run: |
-        cd brukerapi-python/test
         unzip 0.2H2.zip
         python -m pytest . --test_data "0.2H2" --test_suites="test_data" -v
 
     - name: Test using the PV6.0.1 data set
+      working-directory: brukerapi-python/test
       run: |
-        cd brukerapi-python/test
         unzip 20200612_094625_lego_phantom_3_1_2.zip
-        python -m pytest --test_data "20200612_094625_lego_phantom_3_1_2"  --test_suites="test_data" -v
+        python -m pytest . --test_data "20200612_094625_lego_phantom_3_1_2" --test_suites="test_data" -v
 
     - name: Test using the PV7.0.0 data set
+      working-directory: brukerapi-python/test
       run: |
-        cd brukerapi-python/test
         unzip 20210128_122257_LEGO_PHANTOM_API_TEST_1_1.zip
-        python -m pytest --test_data "20210128_122257_LEGO_PHANTOM_API_TEST_1_1" --test_suites="test_data" -v
+        python -m pytest . --test_data "20210128_122257_LEGO_PHANTOM_API_TEST_1_1" --test_suites="test_data" -v

pyproject.toml

@@ -0,0 +1,34 @@
+[build-system]
+requires = ["setuptools>=64", "wheel"]
+build-backend = "setuptools.build_meta"
+
+[project]
+name = "brukerapi"
+version = "0.1.9"
+description = "Bruker API"
+authors = [
+    { name="Tomas Psorn", email="tomaspsorn@isibrno.cz" }
+]
+license = { text="MIT" }
+readme = "README.rst"
+requires-python = ">=3.8"
+dependencies = [
+    "numpy<2; python_version<'3.9'",
+    "numpy>=1.26.0; python_version>='3.9'",
+    "pyyaml"
+]
+urls = { "Homepage" = "https://github.com/isi-nmr/brukerapi-python","Download" = "https://github.com/isi-nmr/brukerapi-python/releases/latest"}
+
+[project.scripts]
+bruker = "brukerapi.cli:main"
+
+[tool.setuptools]
+packages = ["brukerapi", "brukerapi.config"]
+include-package-data = true
+zip-safe = false
+
+[project.optional-dependencies]
+dev = [
+    "pytest",
+    "zenodo_get"
+]