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Merge pull request #24 from Matgenix/ml-evs/qtk-public-release
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| @@ -1,6 +1,6 @@ | ||
| # Changes here will be overwritten by Copier; NEVER EDIT MANUALLY | ||
| _commit: 7a70b18 | ||
| _src_path: gh:Matgenix/Matgenix-copier-template | ||
| _commit: d0e6447 | ||
| _src_path: [email protected]:Matgenix/Matgenix-copier-template | ||
| author_email: [email protected] | ||
| author_fullname: David Waroquiers | ||
| author_username: davidwaroquiers | ||
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@@ -15,3 +15,4 @@ repository_namespace: matgenix | |
| repository_provider: https://github.com | ||
| short_description: QToolKit is a python wrapper interfacing with job queues (e.g. | ||
| PBS, SLURM, ...). | ||
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| Original file line number | Diff line number | Diff line change |
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| @@ -0,0 +1,89 @@ | ||
| name: Publish and Deploy | ||
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| on: | ||
| release: | ||
| types: | ||
| - published | ||
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| env: | ||
| PUBLISH_UPDATE_BRANCH: main | ||
| GIT_USER_NAME: Matgenix | ||
| GIT_USER_EMAIL: "[email protected]" | ||
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| jobs: | ||
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| publish: | ||
| name: Publish package | ||
| runs-on: ubuntu-latest | ||
| if: github.repository == 'matgenix/qtoolkit' && startsWith(github.ref, 'refs/tags/v') | ||
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| steps: | ||
| - name: Checkout repository | ||
| uses: actions/checkout@v4 | ||
| with: | ||
| submodules: true | ||
| fetch-depth: 0 | ||
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| - name: Set up Python 3.11 | ||
| uses: actions/setup-python@v4 | ||
| with: | ||
| python-version: '3.11' | ||
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| - name: Install Python dependencies | ||
| run: | | ||
| python -m pip install -U pip | ||
| pip install -U setuptools wheel | ||
| pip install -e .[all] | ||
| - name: Update changelog | ||
| uses: CharMixer/auto-changelog-action@v1 | ||
| with: | ||
| token: ${{ secrets.RELEASE_PAT_BOT }} | ||
| release_branch: ${{ env.PUBLISH_UPDATE_BRANCH }} | ||
| exclude_labels: "duplicate,question,invalid,wontfix,dependency_updates,skip_changelog" | ||
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| - name: Update '${{ env.PUBLISH_UPDATE_BRANCH }}' | ||
| uses: CasperWA/push-protected@v2 | ||
| with: | ||
| token: ${{ secrets.RELEASE_PAT_BOT }} | ||
| branch: ${{ env.PUBLISH_UPDATE_BRANCH }} | ||
| unprotect_reviews: true | ||
| sleep: 15 | ||
| force: true | ||
| tags: true | ||
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| - name: Get tagged versions | ||
| run: echo "PREVIOUS_VERSION=$(git tag -l --sort -version:refname | sed -n 2p)" >> $GITHUB_ENV | ||
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| - name: Create release-specific changelog | ||
| uses: CharMixer/auto-changelog-action@v1 | ||
| with: | ||
| token: ${{ secrets.RELEASE_PAT_BOT }} | ||
| release_branch: ${{ env.PUBLISH_UPDATE_BRANCH }} | ||
| since_tag: "${{ env.PREVIOUS_VERSION }}" | ||
| output: "release_changelog.md" | ||
| exclude_labels: "duplicate,question,invalid,wontfix,dependency_updates,skip_changelog" | ||
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| - name: Append changelog to release body | ||
| run: | | ||
| gh api /repos/${{ github.repository }}/releases/${{ github.event.release.id }} --jq '.body' > release_body.md | ||
| cat release_changelog.md >> release_body.md | ||
| gh api /repos/${{ github.repository }}/releases/${{ github.event.release.id }} -X PATCH -F body='@release_body.md' | ||
| env: | ||
| GITHUB_TOKEN: ${{ secrets.RELEASE_PAT_BOT }} | ||
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| - name: Build source distribution | ||
| run: python -m build | ||
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| - name: Publish package to Test PyPI first | ||
| uses: pypa/gh-action-pypi-publish@release/v1 | ||
| with: | ||
| user: __token__ | ||
| password: ${{ secrets.TEST_PYPI_PASSWORD }} | ||
| repository-url: https://test.pypi.org/legacy/ | ||
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| - name: Publish package to PyPI | ||
| uses: pypa/gh-action-pypi-publish@release/v1 | ||
| with: | ||
| user: __token__ | ||
| password: ${{ secrets.PYPI_PASSWORD }} |
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,20 @@ | ||
| # Installation | ||
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| Clone this repository and then install with `pip` in the virtual environment of your choice. | ||
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| ``` | ||
| git clone git@https://github.com:matgenix/qtoolkit | ||
| cd qtoolkit | ||
| pip install . | ||
| ``` | ||
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| ## Development installation | ||
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| You can use | ||
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| ``` | ||
| pip install -e .[dev,tests] | ||
| ``` | ||
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| to perform an editable installation with additional development and test dependencies. | ||
| You can then activate `pre-commit` in your local repository with `pre-commit install`. |
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| Original file line number | Diff line number | Diff line change |
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@@ -12,7 +12,6 @@ authors = [{ name = "David Waroquiers", email = "[email protected]" | |
| dynamic = ["version"] | ||
| classifiers = [ | ||
| "Programming Language :: Python :: 3", | ||
| "Programming Language :: Python :: 3.8", | ||
| "Programming Language :: Python :: 3.9", | ||
| "Programming Language :: Python :: 3.10", | ||
| "Programming Language :: Python :: 3.11", | ||
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@@ -24,8 +23,8 @@ classifiers = [ | |
| "Topic :: Other/Nonlisted Topic", | ||
| "Topic :: Scientific/Engineering", | ||
| ] | ||
| requires-python = ">=3.8" | ||
| dependencies = [] | ||
| requires-python = ">=3.9" | ||
| dependencies =[] | ||
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| [project.optional-dependencies] | ||
| dev = [ | ||
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@@ -73,7 +72,7 @@ max-line-length = 88 | |
| max-doc-length = 88 | ||
| select = "C, E, F, W, B" | ||
| extend-ignore = "E203, W503, E501, F401, RST21" | ||
| min-python-version = "3.8.0" | ||
| min-python-version = "3.9.0" | ||
| docstring-convention = "numpy" | ||
| rst-roles = "class, func, ref, obj" | ||
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