Move unittest check to GitHub Actions (#317)

* Move unittest check to GitHub Actions

Tests are parallelized

* Delete tests.yml

* Update setup.py

* Create test_requirements.txt

* Update unittest.yml

* Update unittest.yml

* Update README.md

* Delete install_dependencies.sh

* Delete install_dependencies_python2.sh

* Update unittest.yml

.github/workflows/unittest.yml

+name: unit tests
+
+on: [push]
+
+jobs:
+  build:
+
+    runs-on: ubuntu-latest
+    strategy:
+      matrix:
+        python-version: [3.7]
+        test-filenames: [test_aev.py, test_data_new.py, test_ignite.py, test_utils.py, test_ase.py, test_energies.py, test_neurochem.py, test_vibrational.py, test_ensemble.py, test_padding.py, test_data.py, test_forces.py, test_structure_optim.py]
+
+    steps:
+    - uses: actions/checkout@v1
+    - name: Set up Python ${{ matrix.python-version }}
+      uses: actions/setup-python@v1
+      with:
+        python-version: ${{ matrix.python-version }}
+    - name: Fetch submodules
+      run: git submodule update --init
+    - name: Install dependencies
+      run: |
+        ci/install_dependencies.sh
+        pip install -r test_requirements.txt
+        pip install .
+    - name: Download data files
+      run: ./download.sh
+    - name: Run single test
+      run: python tests/${{ matrix.test-filenames }}

README.md

 # <img src=https://raw.githubusercontent.com/aiqm/torchani/master/logo1.png width=180/>  Accurate Neural Network Potential on PyTorch
 
-Build:
-
-[![flake8](https://zasdfgbnm.visualstudio.com/torchani/_apis/build/status/flake8)](https://zasdfgbnm.visualstudio.com/torchani/_build/latest?definitionId=3)
-[![docs](https://zasdfgbnm.visualstudio.com/torchani/_apis/build/status/docs)](https://zasdfgbnm.visualstudio.com/torchani/_build/latest?definitionId=4)
-[![runnable submodules](https://zasdfgbnm.visualstudio.com/torchani/_apis/build/status/runnable-submodules)](https://zasdfgbnm.visualstudio.com/torchani/_build/latest?definitionId=5)
-[![unit tests](https://zasdfgbnm.visualstudio.com/torchani/_apis/build/status/unit-tests)](https://zasdfgbnm.visualstudio.com/torchani/_build/latest?definitionId=6)
-[![tools](https://zasdfgbnm.visualstudio.com/torchani/_apis/build/status/tools)](https://zasdfgbnm.visualstudio.com/torchani/_build/latest?definitionId=7)
-[![Python2 Inference](https://zasdfgbnm.visualstudio.com/torchani/_apis/build/status/python2?branchName=master)](https://zasdfgbnm.visualstudio.com/torchani/_build/latest?definitionId=11&branchName=master)
+Checks:
+
 [![CodeFactor](https://www.codefactor.io/repository/github/aiqm/torchani/badge/master)](https://www.codefactor.io/repository/github/aiqm/torchani/overview/master)
-[![codecov](https://codecov.io/gh/aiqm/torchani/branch/master/graph/badge.svg)](https://codecov.io/gh/aiqm/torchani)
 [![Total alerts](https://img.shields.io/lgtm/alerts/g/aiqm/torchani.svg?logo=lgtm&logoWidth=18)](https://lgtm.com/projects/g/aiqm/torchani/alerts/)
 
 Deploy (these builds only succeed on tagged commits):

azure/install_dependencies.sh

-#!/bin/bash
-
-python -m pip install --upgrade pip
-pip install --pre torch torchvision -f https://download.pytorch.org/whl/nightly/cpu/torch_nightly.html
-pip install tqdm pyyaml future pkbar
-pip install 'ase<=3.17'

azure/tests.yml

-queue:
-  name: Hosted Ubuntu 1604
-  timeoutInMinutes: 6000
-
-trigger:
-  batch: true
-  branches:
-    include:
-    - master
-
-variables:
-  python.version: '3.7'
-
-steps:
-
-- task: UsePythonVersion@0
-  displayName: 'Use Python $(python.version)'
-  inputs:
-    versionSpec: '$(python.version)'
-
-- script: 'git submodule update --init'
-  displayName: 'Fetch submodules'
-
-- script: 'azure/install_dependencies.sh && pip install nose coverage codecov'
-  displayName: 'Install dependencies'
-
-- script: './download.sh'
-  displayName: 'Download data files'
-
-- script: 'python setup.py nosetests'
-  displayName: Unit tests
-
-- script: 'codecov -t $(codecov.token)'
-  displayName: Upload coverage

setup.py

@@ -21,18 +21,6 @@ setup_attrs = {
         'torch',
         'lark-parser',
     ],
-    'test_suite': 'nose.collector',
-    'tests_require': [
-        'nose',
-        'tb-nightly',
-        'tqdm',
-        'ase',
-        'coverage',
-        'h5py',
-        'pytorch-ignite',
-        'pillow',
-        'pkbar'
-    ],
 }
 
 if sys.version_info[0] < 3:

test_requirements.txt

+tb-nightly
+tqdm
+ase
+h5py
+pytorch-ignite
+pillow
+pkbar