Merge pull request #23 from compomics/dev

v2.0.0-beta.2

.github/workflows/publish.yml

@@ -13,23 +13,32 @@ jobs:
     - name: Set up Python
       uses: actions/setup-python@v2
       with:
-        python-version: '3.7'
+        python-version: 3.8
 
     - name: Install dependencies
       run: |
         python -m pip install --upgrade pip
-        pip install setuptools wheel twine
+        pip install setuptools wheel pytest twine
 
-#    - name: Build and publish to PyPI
-#      env:
-#        TWINE_USERNAME: ${{ secrets.PYPI_USERNAME }}
-#        TWINE_PASSWORD: ${{ secrets.PYPI_PASSWORD }}
-#      run: |
-#        python setup.py sdist bdist_wheel
-#        twine upload dist/*
+    - name: Build and publish to PyPI
+      env:
+        TWINE_USERNAME: ${{ secrets.PYPI_USERNAME }}
+        TWINE_PASSWORD: ${{ secrets.PYPI_PASSWORD }}
+      run: |
+        python setup.py sdist bdist_wheel
+        
+    - name: Test built package
+      run: |
+        pip install dist/ms2rescore-*.whl
+        pytest
 
     - name: Upload build artifacts
       uses: actions/upload-artifact@v2
       with:
         name: python-package
         path: dist/*
+
+    - uses: pypa/gh-action-pypi-publish@master
+      with:
+        user: ${{ secrets.PYPI_USERNAME }}
+        password: ${{ secrets.PYPI_PASSWORD }}

.github/workflows/test.yml

@@ -1,35 +1,38 @@
-name: Tests
+name: Test
 
 on: [push, pull_request]
 
 jobs:
-  build:
-
-    runs-on: ubuntu-latest
+  test:
+    runs-on: ${{ matrix.os }}
     strategy:
-      max-parallel: 4
       matrix:
+        os: [ubuntu-latest, macos-latest]
         python-version: [3.6, 3.7, 3.8]
-
     steps:
-    - uses: actions/checkout@v1
+    - uses: actions/checkout@v2
+
     - name: Set up Python ${{ matrix.python-version }}
-      uses: actions/setup-python@v1
+      uses: actions/setup-python@v2
       with:
         python-version: ${{ matrix.python-version }}
+
     - name: Install dependencies
       run: |
         python -m pip install --upgrade pip
         pip install wheel flake8 pytest
+
     - name: Lint with flake8
       run: |
         # stop the build if there are Python syntax errors or undefined names
         flake8 . --count --select=E9,F63,F7,F82 --show-source --statistics
         # exit-zero treats all errors as warnings. The GitHub editor is 127 chars wide
         flake8 . --count --exit-zero --max-complexity=10 --max-line-length=127 --statistics
+
     - name: Build and install ms2rescore package
       run: |
         pip install .
+
     - name: Test with pytest
       run: |
         pytest

.gitignore

@@ -1,5 +1,5 @@
 # Others
-data/
+data/*
 steps.txt
 old_files/
 prepare_pin_files.py
@@ -99,4 +99,6 @@ ENV/
 .ropeproject
 
 # vscode
-.vscode/
+.vscode/
+.pytest_cache/v/cache/nodeids
+.pytest_cache/v/cache/stepwise

MANIFEST.in

@@ -0,0 +1,2 @@
+include ms2rescore/package_data/**/*
+include ms2rescore/package_data/*