Add CI with GitHub Actions (#1)

* Remove un-used import

* Add boilerplate GitHub Actions CI script taken from openforcefield/status#13

* Add channels to conda env YAML

* Fix some references to `openff_cli`

.github/CONTRIBUTING.md

@@ -1,7 +1,7 @@
 # How to contribute
 
 We welcome contributions from external contributors, and this document
-describes how to merge code changes into this openff_cli. 
+describes how to merge code changes into this openff-cli.
 
 ## Getting Started
 
@@ -19,7 +19,7 @@ describes how to merge code changes into this openff_cli.
   [branch](https://help.github.com/articles/creating-and-deleting-branches-within-your-repository/)
   with the branch name relating to the feature you are going to add.
 * When you are ready for others to examine and comment on your new feature,
-  navigate to your fork of openff_cli on GitHub and open a [pull
+  navigate to your fork of openff-cli on GitHub and open a [pull
   request](https://help.github.com/articles/using-pull-requests/) (PR). Note that
   after you launch a PR from one of your fork's branches, all
   subsequent commits to that branch will be added to the open pull request
@@ -29,7 +29,7 @@ describes how to merge code changes into this openff_cli.
 * If you're providing a new feature, you must add test cases and documentation.
 * When the code is ready to go, make sure you run the test suite using pytest.
 * When you're ready to be considered for merging, check the "Ready to go"
-  box on the PR page to let the openff_cli devs know that the changes are complete.
+  box on the PR page to let the openff-cli devs know that the changes are complete.
   The code will not be merged until this box is checked, the continuous
   integration returns checkmarks,
   and multiple core developers give "Approved" reviews.

.github/workflows/ci.yaml

@@ -0,0 +1,66 @@
+name: ci
+
+on:
+  push:
+    branches:
+      - "master"
+      - "maintenance/.+"
+  pull_request:
+    branches:
+      - "master"
+      - "maintenance/.+"
+  schedule:
+    # Run a cron job once daily
+    - cron: "0 0 * * *"
+
+jobs:
+  test:
+    runs-on: ${{ matrix.os }}
+    strategy:
+      fail-fast: false
+      matrix:
+        os: [macOS-latest, ubuntu-latest]
+        python-version: [3.6, 3.7]
+    env:
+      PYVER: ${{ matrix.python-version }}
+
+    steps:
+    - uses: actions/checkout@v2
+
+    - uses: goanpeca/setup-miniconda@v1
+      with:
+        python-version: ${{ matrix.python-version }}
+        activate-environment: test
+        channel-priority: true
+        environment-file: devtools/conda-envs/test_env.yaml
+        auto-activate-base: false
+
+    - name: Additional info about the build
+      shell: bash
+      run: |
+        uname -a
+        df -h
+        ulimit -a
+
+    - name: Environment Information
+      shell: bash -l {0}
+      run: |
+        conda info --all
+        conda list
+
+    - name: Install package
+      shell: bash -l {0}
+      run: |
+        python -m pip install --no-deps .
+
+    - name: Run tests
+      shell: bash -l {0}
+      run: |
+        PYTEST_ARGS=" -v --cov=openff/cli/ --cov-report=xml --cov-config=setup.cfg"
+        pytest $PYTEST_ARGS openff/cli/tests
+
+    - name: Codecov
+      uses: codecov/codecov-action@v1
+      with:
+        file: ./coverage.xml
+        fail_ci_if_error: true

MANIFEST.in

@@ -2,5 +2,5 @@ include LICENSE
 include MANIFEST.in
 include versioneer.py
 
-graft openff_cli
-global-exclude *.py[cod] __pycache__ *.so
+graft openff/cli
+global-exclude *.py[cod] __pycache__ *.so

devtools/conda-envs/test_env.yaml

@@ -1,5 +1,6 @@
 name: test
 channels:
+  - conda-forge
 dependencies:
     # Base depends
   - python
@@ -9,8 +10,3 @@ dependencies:
   - pytest
   - pytest-cov
   - codecov
-
-    # Pip-only installs
-  #- pip:
-  #  - codecov
-

docs/conf.py

@@ -17,7 +17,7 @@
 import sys
 sys.path.insert(0, os.path.abspath('..'))
 
-import openff_cli
+from openff import cli
 
 
 # -- Project information -----------------------------------------------------

openff/cli/_version.py

@@ -43,7 +43,7 @@ def get_config():
     cfg.style = "pep440"
     cfg.tag_prefix = ""
     cfg.parentdir_prefix = "None"
-    cfg.versionfile_source = "openff_cli/_version.py"
+    cfg.versionfile_source = "openff/cli/_version.py"
     cfg.verbose = False
     return cfg
 

openff/cli/tests/test_openff_cli.py

@@ -1,10 +1,4 @@
-"""
-Unit and regression test for the openff_cli package.
-"""
-
-# Import package, test suite, and other packages as needed
 from openff import cli
-import pytest
 import sys
 
 def test_openff_cli_imported():

setup.cfg

@@ -6,7 +6,7 @@ omit =
     # Omit the tests
     */tests/*
     # Omit generated versioneer
-    openff_cli/_version.py
+    openff/cli/_version.py
 
 [yapf]
 # YAPF, in .style.yapf files this shows up as "[style]" header
@@ -22,8 +22,8 @@ max-line-length = 119
 # Automatic version numbering scheme
 VCS = git
 style = pep440
-versionfile_source = openff_cli/_version.py
-versionfile_build = openff_cli/_version.py
+versionfile_source = openff/cli/_version.py
+versionfile_build = openff/cli/_version.py
 tag_prefix = ''
 
 [aliases]