Other deploy

.github/workflows/python-app.yml

@@ -58,3 +58,35 @@ jobs:
     - name: Run pylint 
       run: |
          pylint --disable=fixme --fail-under=8.0 cgsmiles
+
+  deploy:
+    needs: lint
+    runs-on: ubuntu-latest
+
+    steps:
+    - uses: actions/checkout@master
+    - name: Set up Python 3.9
+      uses: actions/setup-python@v1
+      with:
+        python-version: 3.9
+
+    - name: Install pypa/build
+      run: |
+        pip install build
+        pip install pbr
+
+    - name: Build a binary wheel and a source tarball
+      run: >-
+        python -m
+        build
+        --sdist
+        --wheel
+        --outdir dist/
+
+    - name: Publish package to PyPI
+      uses: pypa/gh-action-pypi-publish@release/v1
+      with:
+       verbose: true
+       repository-url: https://test.pypi.org/legacy/
+       user: __token__
+       password: ${{ secrets.PYPI_TEST_API_TOKEN }}

cgsmiles/__init__.py

@@ -1,6 +1,8 @@
 """
 CGsmiles: Coarse-Grained Smiles (CGsmiles) for representing abitrarily complex molecules using line notation.
 """
+import pbr.version
+__version__ = pbr.version.VersionInfo('cgsmiles').release_string()
 
 from .read_cgsmiles import read_cgsmiles
 from .read_fragments import read_fragments

requirements.txt

@@ -0,0 +1,4 @@
+pbr
+numpy
+networkx
+pysmiles @ git+https://github.com/pckroon/pysmiles.git@master

setup.cfg

@@ -30,13 +30,14 @@ packages = find:
 setup-requires =
     setuptools >= 46.4.0
     pbr
-install-requires =  # ?? requires-dist?
-    pbr
-    numpy
-    networkx >= 2.0
-    pysmiles @ git+https://github.com/pckroon/pysmiles.git@master
 zip-safe = False
 
+[egg_info]
+tag_build = .dev
+tag_date = 1
+
+[pbr]
+version = 0.0.0
 
 #[build_sphinx]
 #source-dir = doc/source

setup.py

@@ -2,4 +2,5 @@
 
 setup(
     pbr=True,
+    requirements='requirements.txt'
 )