CI: GitHub Actions

.github/ISSUE_TEMPLATE/bug_report.md

@@ -1,19 +1,19 @@
 ---
 name: Bug report
 about: Create a report to help us improve
-
+label: Bug
 ---
 
 **Describe the bug**
-A clear and concise description of what the bug is.
+<!-- A clear and concise description of what the bug is. -->
 
 **To Reproduce**
-Code to reproduce the behavior:
-
+<!-- Code to reproduce the behavior: Please include the results of:
+`conda list`
+`python -c "import qcelemental as qcel; print(qcel.__file__, qcel.__version__)"` -->
 
 **Expected behavior**
-A clear and concise description of what you expected to happen.
-
+<!-- A clear and concise description of what you expected to happen. -->
 
 **Additional context**
-Add any other context about the problem here.
+<!-- Add any other context about the problem here. -->

.github/ISSUE_TEMPLATE/feature_request.md

@@ -1,17 +1,17 @@
 ---
 name: Feature request
 about: Suggest an idea for this project
-
+label: Feature
 ---
 
 **Is your feature request related to a problem? Please describe.**
-A clear and concise description of what the problem is. Ex. I'm always frustrated when [...]
+<!-- A clear and concise description of what the problem is. Ex. I'm always frustrated when [...] -->
 
 **Describe the solution you'd like**
-A clear and concise description of what you want to happen.
+<!--A clear and concise description of what you want to happen. -->
 
 **Describe alternatives you've considered**
-A clear and concise description of any alternative solutions or features you've considered.
+<!--A clear and concise description of any alternative solutions or features you've considered. -->
 
 **Additional context**
-Add any other context or screenshots about the feature request here.
+<!--Add any other context or screenshots about the feature request here. -->

.github/PULL_REQUEST_TEMPLATE.md

@@ -1,13 +1,10 @@
-## Description
-Provide a brief description of the PR's purpose here.
+<!-- Thank you for your contribution! -->
 
-## Todos
-Notable points that this PR has either accomplished or will accomplish.
-  - [ ] TODO 1
+## Description
+<!-- Provide a brief description of the PR's purpose here. -->
 
-## Questions
-- [ ] Question1
+## Changelog description
+<!-- Provide a brief single sentence for the changelog. -->
 
 ## Status
-- [ ] Changelog updated
-- [ ] Ready to go
+- [ ] Ready to go

.github/workflows/CI.yml

@@ -0,0 +1,58 @@
+name: CI
+
+on: [push, pull_request]
+
+jobs:
+  build:
+
+    runs-on: ubuntu-18.04
+    strategy:
+      matrix:
+        conda-env: [base, minimal]
+        python-version: [3.6, 3.7]
+    env:
+      PYVER: ${{ matrix.python-version }}
+      CONDA_ENV: ${{ matrix.conda-env }}
+
+    steps:
+    - uses: actions/checkout@v1
+
+    - name: Setup Information
+      shell: bash
+      run: |
+        uname -a
+        df -h
+        ulimit -a
+        conda --version
+
+    - name: Create Environment
+      shell: bash
+      run: |
+        eval "$(conda shell.bash hook)" && conda activate
+        python devtools/scripts/create_conda_env.py -n=test -p=$PYVER devtools/conda-envs/$CONDA_ENV.yaml
+
+    - name: Install
+      shell: bash
+      run: |
+        eval "$(conda shell.bash hook)" && conda activate test
+        python -m pip install . --no-deps
+
+    - name: Environment Information
+      shell: bash
+      run: |
+        eval "$(conda shell.bash hook)" && conda activate test
+        conda list --show-channel-urls
+
+    - name: PyTest
+      shell: bash
+      run: |
+        eval "$(conda shell.bash hook)" && conda activate test
+        pytest -v --cov=qcelemental --color=yes --cov-report=xml qcelemental/tests/
+
+    - name: CodeCov  
+      uses: codecov/codecov-action@v1
+      with:
+        token: ${{ secrets.CODECOV_TOKEN }}
+        file: ./coverage.xml
+        flags: unittests
+        yml: ./.codecov.yml 

qcelemental/tests/test_model_general.py

@@ -76,20 +76,18 @@ def test_repr_optimization():
     assert "molecule_hash" in str(opt)
     assert "molecule_hash" in repr(opt)
 
-def test_model_custom_repr():
 
+def test_model_custom_repr():
     class Model(ProtoModel):
         a: int
 
         def __repr__(self) -> str:
             return "Hello world!"
 
-
     m = Model(a=5)
     assert repr(m) == "Hello world!"
     assert "Model(" in str(m)
 
-
     class Model2(ProtoModel):
         a: int