Merge pull request #9 from nlesc-nano/dev

REL: CP2K-Parser 2.0.0

.github/workflows/pypi.yml

@@ -0,0 +1,34 @@
+name: Publish
+
+on:
+    release:
+        types: [published]
+
+jobs:
+    publish:
+        runs-on: ubuntu-latest
+        steps:
+            - uses: actions/checkout@v2
+
+            - name: Set up Python
+              uses: actions/setup-python@v2
+
+            - name: Install dependencies
+              run: pip install wheel twine
+
+            - name: Python info
+              run: |
+                which python
+                python --version
+
+            - name: Installed packages
+              run: pip list
+
+            - name: Build the package
+              run: python setup.py sdist bdist_wheel
+
+            - name: Publish the package
+              uses: pypa/gh-action-pypi-publish@master
+              with:
+                user: __token__
+                password: ${{ secrets.PYPI_TOKEN }}

.github/workflows/pythonpackage.yml

@@ -0,0 +1,53 @@
+# This workflow will install Python dependencies, run tests and lint with a variety of Python versions
+# For more information see: https://help.github.com/actions/language-and-framework-guides/using-python-with-github-actions
+
+name: Build
+
+on:
+    push:
+        branches:
+            - master
+    pull_request:
+
+jobs:
+    build:
+        name: ${{ matrix.os }} (py ${{ matrix.version }}${{ matrix.special }})
+        runs-on: ${{ matrix.os }}
+        strategy:
+            fail-fast: false
+            matrix:
+                os: [ubuntu-latest, macos-latest, windows-latest]
+                version: [3.7, 3.8, 3.9, '3.10.0-alpha - 3.10']
+
+        steps:
+            -   name: Cancel Previous Runs
+                uses: styfle/cancel-workflow-action@0.9.0
+                with:
+                    access_token: ${{ github.token }}
+
+            -   uses: actions/checkout@v2
+
+            -   name: Set up Python ${{ matrix.version }} on ${{ matrix.os }}
+                uses: actions/setup-python@v2
+                with:
+                    python-version: ${{ matrix.version }}
+
+            -   name: Install dependencies
+                run: pip install -e .[test]
+
+            -   name: Python info
+                run: |
+                    which python
+                    python --version
+
+            -   name: Installed packages
+                run: pip list
+
+            -   name: Test with pytest
+                run: pytest
+
+            -   name: Run codecov
+                uses: codecov/codecov-action@v2
+                with:
+                    file: ./coverage.xml
+                    name: codecov-umbrella

CHANGELOG.rst

@@ -5,11 +5,15 @@ Change Log
 All notable changes to this project will be documented in this file.
 This project adheres to `Semantic Versioning <http://semver.org/>`_.
 
-1.0.1
+2.0.0
 *****
+* Dropped support for python 3.5 and 3.6.
+* Update the license from GPLv3+ to Apache 2.0.
+* Add full support for PEP 484 type annotations.
+
 
-Changed
--------
+1.0.1
+*****
 * Trailing whitespaces are now removed from keys.
 * Content of the `&COORD`_ block is now converted into a
   dictionary with ``"_1"`` as key and a list of atomic symbols + coordinates
@@ -20,7 +24,4 @@ Changed
 
 1.0.0
 *****
-
-Added
------
 * Release of CP2K-Parser