Workflows

.github/workflows/build.yml

@@ -0,0 +1,29 @@
+name: Build
+
+on:
+  push:
+    tags:
+      - 'v*'
+
+jobs:
+  build:
+    name: Create Release
+    permissions: write-all
+    runs-on: ubuntu-latest
+    steps:
+      - name: Checkout code
+        uses: actions/checkout@v2
+      - name: Get version from setup.cfg
+        id: get-version
+        run: echo "::set-output name=version::$(awk -F "=" '/^version/ {print $2}' setup.cfg | tr -d '[:space:]')"
+      - name: Create Release
+        id: create_release
+        uses: actions/create-release@v1
+        env:
+          GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }} # This token is provided by Actions, you do not need to create your own token
+        with:
+          tag_name: v${{ steps.get-version.outputs.version }}
+          release_name: Release v${{ steps.get-version.outputs.version }}
+          draft: false
+          # prerelease: ${{ contains(github.ref, '-beta') || contains(github.ref, '-alpha') || contains(github.ref, '-rc') }}
+          prerelease: false

.github/workflows/publish.yml

@@ -0,0 +1,20 @@
+name: Publish to PyPI.org
+on:
+  release:
+    types: [published]
+  workflow_dispatch:  # Add this to allow manual triggering
+jobs:
+  pypi:
+    runs-on: ubuntu-latest
+    permissions:
+      id-token: write
+    steps:
+      - name: Checkout
+        uses: actions/checkout@v3
+        with:
+          fetch-depth: 0
+      - run: python3 -m pip install --upgrade build && python3 -m build
+      - name: Publish package
+        uses: pypa/gh-action-pypi-publish@release/v1
+        with:
+          password: ${{ secrets.PYPI_API_TOKEN }}

setup.cfg

@@ -1,6 +1,6 @@
 [metadata]
 name = reactea
-version = 0.1.1-beta
+version = 1.0.0
 description = ReactEA: Combining Evolutionary Algorithms with Reaction Rules Towards Focused Molecular Design
 long_description = file: README.md
 long_description_content_type = text/markdown
@@ -12,7 +12,7 @@ license = GPL-3.0 license
 license_file = LICENSE
 platforms = unix, linux, osx, cygwin, win32
 classifiers =
-    Development Status :: 4 - Beta
+    Development Status :: 5 - Production/Stable
     License :: OSI Approved :: MIT License
     Programming Language :: Python :: 3.7
     Programming Language :: Python :: 3.8

src/reactea/__init__.py

@@ -9,6 +9,8 @@
 from reactea.optimization.jmetal.ea import ChemicalEA
 from reactea.wrappers import case_study_wrapper, evaluation_functions_wrapper
 
+__version__ = '1.0.0'
+
 
 def run_reactea(configs_path: Union[str, dict],
                 case_study: CaseStudy,