Update CI

.github/workflows/main.yaml

@@ -10,9 +10,54 @@ on:
   workflow_dispatch:
 
 jobs:
-    build:
-      runs-on: ubuntu-latest
-      steps:
+  lint:
+    name: Lint
+    runs-on: ubuntu-latest
+    strategy:
+      matrix:
+        python-version: [ "3.7" ]
+    steps:
+      - uses: actions/checkout@v2
+      - name: Set up Python ${{ matrix.python-version }}
+        uses: actions/setup-python@v2
+        with:
+          python-version: ${{ matrix.python-version }}
+      - name: Install dependencies
+        run: |
+          pip install --upgrade pip setuptools wheel
+          pip install tox
+      - name: Check manifest
+        run: tox -e manifest
+      - name: Check package metadata
+        run: tox -e pyroma
+      - name: Check code quality
+        run: tox -e flake8
+  docs:
+    name: Documentation
+    runs-on: ubuntu-latest
+    strategy:
+      matrix:
+        python-version: [ "3.7" ]
+    steps:
+      - uses: actions/checkout@v2
+      - name: Set up Python ${{ matrix.python-version }}
+        uses: actions/setup-python@v2
+        with:
+          python-version: ${{ matrix.python-version }}
+      - name: Install dependencies
+        run: |
+          pip install --upgrade pip setuptools wheel
+          pip install tox
+          sudo apt-get install graphviz
+      - name: Lint documentation
+        run: tox -e doc8
+      - name: Check documentation coverage
+        run: tox -e docstr-coverage
+      - name: Check documentation build
+        run: tox -e docs
+  build:
+    runs-on: ubuntu-latest
+    steps:
       - uses: actions/checkout@v2
       - uses: actions/setup-python@v1
         with:
@@ -21,19 +66,6 @@ jobs:
       - name: Install general requirements
         run: |
           pip install tox
-      - name: Run flake8
-        run: |
-          tox -e flake8
-      - name: Run doc8
-        run: |
-          tox -e doc8
-      - name: Run docstr-coverage
-        run: |
-          tox -e docstr-coverage
-      - name: Run sphinx test
-        run: |
-          sudo apt-get install graphviz
-          tox -e docs
       - name: Run test-suite
         run: |
           tox -e py

MANIFEST.in

@@ -1 +1,11 @@
-include LICENSE
+graft chemicalx
+graft tests
+
+prune docs
+prune dataset
+prune examples
+prune logo_font
+prune images
+
+include LICENSE README.md CONTRIBUTING.md
+exclude tox.ini .pre-commit-config.yaml dev_setup.sh readthedocs.yaml pull_request_template.md

setup.cfg

@@ -0,0 +1,6 @@
+##########################
+# Setup.py Configuration #
+##########################
+[metadata]
+long_description = file: README.md
+long_description_content_type = text/markdown

setup.py

@@ -54,7 +54,7 @@
     license="Apache License, Version 2.0",
     description="A Deep Learning Library for Drug Pair Scoring.",
     author="Benedek Rozemberczki and Charles Hoyt",
-    author_email="",
+    author_email="benedek.rozemberczki@gmail.com",
     url="https://github.com/AstraZeneca/chemicalx",
     download_url="https://github.com/AstraZeneca/chemicalx/archive/v0.0.8.tar.gz",
     keywords=keywords,
@@ -68,5 +68,7 @@
         "Topic :: Software Development :: Build Tools",
         "License :: OSI Approved :: Apache Software License",
         "Programming Language :: Python :: 3.7",
+        "Programming Language :: Python :: 3.8",
+        "Programming Language :: Python :: 3.9",
     ],
 )

tox.ini

@@ -100,3 +100,16 @@ deps =
 commands =
     docstr-coverage chemicalx/ examples/ tests/ --skip-private --skip-magic
 description = Run the docstr-coverage tool to check documentation coverage
+
+[testenv:pyroma]
+deps =
+    pygments
+    pyroma
+skip_install = true
+commands = pyroma --min=10 .
+description = Run the pyroma tool to check the package friendliness of the project.
+
+[testenv:manifest]
+deps = check-manifest
+skip_install = true
+commands = check-manifest