Merge pull request #36 from aiida-phonopy/dev/update-pypi

Fixing PyPI workflow

.github/workflows/pypi.yml

@@ -0,0 +1,36 @@
+name: Publish PyPI and TestPyPI
+
+on: push
+
+jobs:
+  build-linux:
+    runs-on: ubuntu-latest
+
+    strategy:
+      max-parallel: 5
+
+    steps:
+    - uses: actions/checkout@v2
+
+    - name: Set up Python 3.8
+        uses: actions/setup-python@v2
+        with:
+          python-version: 3.8
+
+    - name: Make sdist and bdist_wheel
+        run: pip install .
+
+    - name: Publish package to TestPyPI
+        if: github.event_name == 'push' && startsWith(github.ref, 'refs/heads/develop')
+        uses: pypa/gh-action-pypi-publish@release/v1
+        with:
+          user: __token__
+          password: ${{ secrets.TEST_PYPI_API_TOKEN }}
+          repository_url: https://test.pypi.org/legacy/
+
+    - name: Publish package to PyPI
+        if: github.event_name == 'push' && startsWith(github.ref, 'refs/heads/develop')
+        uses: pypa/gh-action-pypi-publish@release/v1
+        with:
+          user: __token__
+          password: ${{ secrets.PYPI_API_TOKEN }}

src/aiida_phonopy/calculations/functions/data_utils.py

@@ -1,6 +1,5 @@
 # -*- coding: utf-8 -*-
 """Calcfunctions Utils for aiida-phonopy DataTypes."""
-
 from aiida import orm
 from aiida.engine import calcfunction
 from aiida.plugins import DataFactory

src/aiida_phonopy/parsers/__init__.py

@@ -0,0 +1,2 @@
+# -*- coding: utf-8 -*-
+"""Parsers of Phonopy postprocessing."""