Merge pull request #107 from CasperWA/test_release

Automatically publish version tags to PyPI via GH Actions

.ci/assert_version.py

@@ -0,0 +1,24 @@
+import os
+
+try:
+    from optimade import __version__
+except ImportError:
+    raise ImportError(
+        "optimade needs to be installed prior to running 'assert_version.py'"
+    )
+
+package_version = f"v{__version__}"
+
+tag_version = os.getenv("TAG_VERSION")
+tag_version = tag_version[len("refs/tags/") :]
+
+if tag_version == package_version:
+    print(f"The versions match: tag:'{tag_version}' == package:'{package_version}'")
+    exit(0)
+
+print(
+    f"""The current package version '{package_version}' does not equal the tag version '{tag_version}'.
+Update package version by \"invoke setver --new-ver='{tag_version[1:]}'\" and re-commit.
+Please remove the tag from both GitHub and your local repository and try again!"""
+)
+exit(1)

.ci/json_diff.sh

@@ -1,7 +1,7 @@
 #!/bin/bash
 diff=$(jsondiff openapi.json local_openapi.json);
 
-if [ ! "$diff" = "{}" ]; then 
-    echo -e "Generated OpenAPI spec did not match committed version. Diff:\n$diff"; 
+if [ ! "$diff" = "{}" ]; then
+    echo -e "Generated OpenAPI spec did not match committed version.\nRun 'invoke update_openapijson' and re-commit.\nDiff:\n$diff";
 exit 1;
 fi

.github/workflows/deps_lint.yml

@@ -92,7 +92,7 @@ jobs:
     steps:
     - uses: actions/checkout@v1
 
-    - name: Set up Python ${{ matrix.python-version }} 
+    - name: Set up Python ${{ matrix.python-version }}
       uses: actions/setup-python@v1
       with:
         python-version: ${{ matrix.python-version }}
@@ -129,7 +129,7 @@ jobs:
     steps:
     - uses: actions/checkout@v1
 
-    - name: Set up Python ${{ matrix.python-version }} 
+    - name: Set up Python ${{ matrix.python-version }}
       uses: actions/setup-python@v1
       with:
         python-version: ${{ matrix.python-version }}
@@ -157,7 +157,7 @@ jobs:
   #   steps:
   #   - uses: actions/checkout@v1
 
-  #   - name: Set up Python ${{ matrix.python-version }} 
+  #   - name: Set up Python ${{ matrix.python-version }}
   #     uses: actions/setup-python@v1
   #     with:
   #       python-version: ${{ matrix.python-version }}

.github/workflows/publish-on-pypi.yml

@@ -0,0 +1,49 @@
+name: Publish on PyPI
+
+on:
+  push:
+    tags:
+      # After vMajor.Minor.Patch _anything_ is allowed (without "/") !
+      - v[0-9]+.[0-9]+.[0-9]+*
+
+jobs:
+  publish:
+    runs-on: ubuntu-latest
+    if: github.repository == 'Materials-Consortia/optimade-python-tools' && startsWith(github.ref, 'refs/tags/v')
+
+    steps:
+    - name: Checkout repository
+      uses: actions/checkout@v1
+
+    - name: Set up Python 3.7
+      uses: actions/setup-python@v1
+      with:
+        python-version: 3.7
+
+    - name: Upgrade setuptools and install package
+      run: |
+        python -m pip install --upgrade pip
+        python -m pip install --upgrade setuptools
+        python -m pip install -e .
+
+    - name: Assert package version
+      env:
+        TAG_VERSION: ${{ github.ref }}
+      run: python ./.ci/assert_version.py
+
+    - name: Build source distribution
+      run: python ./setup.py sdist
+
+    # This tests that publication to PyPI is possible, before properly publishing
+    - name: Publish package to TestPyPI
+      uses: pypa/gh-action-pypi-publish@master
+      with:
+        user: __token__
+        password: ${{ secrets.test_pypi_password }}
+        repository_url: https://test.pypi.org/legacy/
+
+    - name: Publish package to PyPI
+      uses: pypa/gh-action-pypi-publish@master
+      with:
+        user: __token__
+        password: ${{ secrets.pypi_password }}

.pre-commit-config.yaml

@@ -1,7 +1,13 @@
 repos:
-  - repo: https://github.com/ambv/black
-    rev: stable
-    hooks:
-    - id: black
-default_language_version:
-  python: python3.7
+- repo: https://github.com/ambv/black
+  rev: stable
+  hooks:
+  - id: black
+
+- repo: https://github.com/pre-commit/pre-commit-hooks
+  rev: v2.3.0
+  hooks:
+  - id: trailing-whitespace
+    exclude: README.md
+  - id: check-yaml
+  - id: check-json

optimade/grammar/v0.10.0.elastic.lark

@@ -1,4 +1,4 @@
-// optimade v0.10.0 grammar spec in lark grammar format, 
+// optimade v0.10.0 grammar spec in lark grammar format,
 // written to work with the elasticsearch filtertransformer
 
 start: or_expr

optimade/grammar/v0.9.6.lark

@@ -2,10 +2,10 @@
 
 start: KEYWORD expression
 KEYWORD: "filter=" | "filter ="
-expression: [expression CONJUNCTION] term 
+expression: [expression CONJUNCTION] term
 term: [term CONJUNCTION] atom | "(" [term CONJUNCTION] term
 
-atom: [NOT] comparison 
+atom: [NOT] comparison
 
 comparison: VALUE OPERATOR VALUE [")"] | VALUE OPERATOR "'" (combined)* "'"
 OPERATOR: /<=?|>=?|!?=/

optimade/grammar/v0.9.7.lark

@@ -5,7 +5,7 @@ start: expression
 expression: [expression CONJUNCTION] term
 term: [term CONJUNCTION] atom | "(" [term CONJUNCTION] term ")"
 
-atom: [NOT] comparison 
+atom: [NOT] comparison
 
 comparison: VALUE OPERATOR VALUE | VALUE OPERATOR "'" combined "'"
 

setup.py

@@ -1,8 +1,7 @@
-import os
-
+from pathlib import Path
 from setuptools import setup, find_packages
 
-module_dir = os.path.dirname(os.path.abspath(__file__))
+module_dir = Path(__file__).resolve().parent
 
 # Dependencies
 mongo_deps = ["pymongo~=3.8", "mongomock~=3.16"]
@@ -27,7 +26,7 @@
     author="OPTiMaDe Development Team",
     author_email="dev@optimade.org",
     description="Tools for implementing and consuming OPTiMaDe APIs.",
-    long_description=open(os.path.join(module_dir, "README.md")).read(),
+    long_description=open(module_dir.joinpath("README.md")).read(),
     long_description_content_type="text/markdown",
     keywords="optimade jsonapi materials",
     include_package_data=True,

tasks.py

@@ -6,9 +6,11 @@
 
 
 @task
-def setver(c, patch=False, new_ver=""):
+def setver(_, patch=False, new_ver=""):
     if (not patch and not new_ver) or (patch and new_ver):
-        raise Exception("Either use --patch or specify e.g. --full='x.y.z.")
+        raise Exception(
+            "Either use --patch or specify e.g. --new-ver='Major.Minor.Patch(a|b|rc)?[0-9]+'"
+        )
     if patch:
         v = [int(x) for x in __version__.split(".")]
         v[2] += 1
@@ -20,6 +22,7 @@ def setver(c, patch=False, new_ver=""):
         ]
     with open("optimade/__init__.py", "w") as f:
         f.write("\n".join(lines))
+        f.write("\n")
 
     with open("setup.py", "r") as f:
         lines = [
@@ -28,6 +31,7 @@ def setver(c, patch=False, new_ver=""):
         ]
     with open("setup.py", "w") as f:
         f.write("\n".join(lines))
+        f.write("\n")
     print("Bumped version to {}".format(new_ver))