expanded tests

- test all supported Python (3.7-3.9) on Linux/macOS/windows
- streamlined ci.yaml
  (and add wheel package to tests)

.github/workflows/ci.yaml

@@ -11,19 +11,18 @@ on:
     branches:
       - "master"
 
+concurrency:
+  group: "${{ github.ref }}-${{ github.head_ref }}"
+  cancel-in-progress: true
+
 jobs:
   test:
     runs-on: ${{ matrix.os }}
     strategy:
-      fail-fast: false
+      fail-fast: true
       matrix:
-        os: 
-          - ubuntu-latest
-         #- macOS-latest 
-        python-version: 
-          - 3.7
-          - 3.8
-          - 3.9
+        os: ["ubuntu-latest", "macOS-latest", "windows-latest"]
+        python-version: ["3.7", "3.8", "3.9"]   
 
     steps:
     - uses: actions/checkout@v2
@@ -32,36 +31,36 @@ jobs:
       uses: actions/setup-python@v2
       with:
         python-version: ${{ matrix.python-version }}
-        architecture: x64
 
-    - name: Environment Information
-      shell: bash -l {0}
+    - name: Display Python version
+      run: python -c "import sys; print(sys.version)"
+
+    - name: Install some dependencies (binary only, no version restrictions)
       run: |
-        python --version
+        python -m pip install wheel
+        python -m pip install --only-binary=numpy numpy
+        python -m pip install --only-binary=scipy scipy
+        python -m pip install --only-binary=matplotlib matplotlib
 
     - name: Install pytest, pytest plugins
-      shell: bash -l {0}
       run: |
         python -m pip install pytest pytest-cov pytest-pep8
 
     - name: Install alchemtest
-      shell: bash -l {0}
       run: |
-        python -m pip install --only-binary=numpy numpy # Otherwise this would take ages
         python -m pip install https://github.com/alchemistry/alchemtest/archive/master.zip
 
-    - name: Install package
-      shell: bash -l {0}
+    - name: Install package (with remaining dependencis)
       run: |
         python -m pip install .
 
     - name: Run tests
-      shell: bash -l {0}
       run: |
-        pytest -v --cov alchemlyb --cov-report=xml src/alchemlyb/tests
+        pytest -v --cov alchemlyb --cov-report=xml --color=yes src/alchemlyb/tests
 
     - name: Codecov
       uses: codecov/codecov-action@v1.5.2
       with:
+        name: codecov-${{ matrix.os }}-py${{ matrix.python-version }}
         file: ./coverage.xml
         fail_ci_if_error: true