Merge pull request #19 from aspuru-guzik-group/r/0.3.0

R/0.3.0

.github/workflows/python-publish.yml

@@ -0,0 +1,39 @@
+# This workflow will upload a Python Package using Twine when a release is created
+# For more information see: https://help.github.com/en/actions/language-and-framework-guides/using-python-with-github-actions#publishing-to-package-registries
+
+# This workflow uses actions that are not certified by GitHub.
+# They are provided by a third-party and are governed by
+# separate terms of service, privacy policy, and support
+# documentation.
+
+name: Upload Python Package
+
+on:
+  release:
+    types: [published]
+
+permissions:
+  contents: read
+
+jobs:
+  deploy:
+
+    runs-on: ubuntu-latest
+
+    steps:
+    - uses: actions/checkout@v3
+    - name: Set up Python
+      uses: actions/setup-python@v3
+      with:
+        python-version: '3.9'
+    - name: Install dependencies
+      run: |
+        python -m pip install --upgrade pip
+        pip install build
+    - name: Build package
+      run: python -m build --sdist
+    - name: Publish package
+      uses: pypa/gh-action-pypi-publish@27b31702a0e7fc50959f5ad993c78deac1bdfc29
+      with:
+        user: __token__
+        password: ${{ secrets.PYPI_API_TOKEN }}

setup.py

@@ -28,15 +28,15 @@ def readme():
 # -----
 # Setup
 # -----
-setup(name='matter-gryffin',
+setup(name='gryffin',
       version=versioneer.get_version(),
       cmdclass=versioneer.get_cmdclass(),
       description='Bayesian optimization for continuous and categorical variables',
       long_description=readme(),
       long_description_content_type='text/markdown',
       classifiers=[
         'Development Status :: 4 - Beta',
-        'License :: OSI Approved :: Apache License 2.0',
+        'License :: OSI Approved :: Apache Software License',
         'Programming Language :: Python',
         'Intended Audience :: Science/Research',
         'Topic :: Scientific/Engineering',