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Revert "Test Ci/Cd" (#20)
* Revert "Test Ci/Cd (#19)" This reverts commit eee222a. * update backward compatibility. * changes in backward_. * backwar ci/cd. * fix backward. * Split up reader test and nomad test. * check dependencies. * test ci/cd * cheek list of installation. * cheek list of installation. * cheek list of installation. * cheek list of installation. * cheek list of installation. * cheek list of installation. * Test update. * Test update. * Test update. * Test update. * Test update. * Test update. * Test update. * Test update.# * Test update. * Test update. * Update Publish compatibility with pynxtools. * Update Reorganise ci/cd pipeline.
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.github/workflows/backward_compatibility.yml

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.github/workflows/publish.yml

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run: |
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python -m pip install --upgrade pip
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pip install build
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# - name: Git tag version
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# id: git_tag_version
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# run: |
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# # Extract the version from the tag (e.g., 'v1.0.0' becomes '1.0.0')
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# GIT_TAG_VERSION=${GITHUB_REF#refs/tags/v}
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# echo "GIT_TAG_VERSION=$GIT_TAG_VERSION" >> $GITHUB_ENV
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# echo "Version from Git tag: $GIT_TAG_VERSION"
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# - name: Citation version
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# id: citation_version
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# run: |
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# # Parse the version from the CITATION.cff file
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# CITATION_VERSION=$(grep '^version:' CITATION.cff | cut -d' ' -f2)
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# echo "CITATION_VERSION=$CITATION_VERSION" >> $GITHUB_ENV
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# echo "Version from CITATION.cff: $CITATION_VERSION"
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# - name: Compare versions
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# run: |
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# if [ "$GIT_TAG_VERSION" != "$CITATION_VERSION" ]; then
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# echo "Version mismatch: Git tag version is $GIT_TAG_VERSION, CITATION.cff version is $CITATION_VERSION"
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# exit 1
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# fi
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- name: Build package
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run: python -m build
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- name: Publish package
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name: Publish Compatibility with Pynxtools
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on:
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push:
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branches: [main]
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pull_request:
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branches: [main]
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jobs:
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publish_compatibility:
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runs-on: ubuntu-latest
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strategy:
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fail-fast: false
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# TODO check Disable this test from block merge request
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matrix:
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pynxtools_versions: ["latest_release", "v0.9.3"]
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# pynxtools_versions: ["master"]
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python-versions: ["3.11"]
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steps:
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- uses: actions/checkout@v4
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with:
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fetch-depth: 0
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submodules: recursive
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- name: Install uv && Set up Python ${{ matrix.python-versions }}
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uses: astral-sh/setup-uv@v5
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with:
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python-version: ${{ matrix.python-versions }}
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version: "0.6.2"
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- name: Install nomad
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if: "${{ matrix.python_versions != '3.8'}}"
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run: |
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uv pip uninstall nomad-lab -q
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uv pip install nomad-lab[infrastructure]@git+https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR.git
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- name: Install dependencies
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run: |
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uv pip install --upgrade pip
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uv pip install coverage coveralls
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- name: Install pynxtools version ${{ matrix.pynxtools_versions }}
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run: |
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PYNXTOOLS_VERSION="${{ matrix.pynxtools_versions }}"
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uv pip uninstall pynxtools -q
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# if [ "$PYNXTOOLS_VERSION" == "master" ]; then
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# uv pip install pynxtools@git+https://github.com/FAIRmat-NFDI/pynxtools@${{ matrix.pynxtools_versions }}
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if [ "$PYNXTOOLS_VERSION" == "latest_release" ]; then
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uv pip install pynxtools
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else
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uv pip install pynxtools==${{ matrix.pynxtools_versions }}
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fi
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- name: Install pynxtools-spm
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run: |
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uv pip install .[dev]
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- name: Run Reader tests
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run: |
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pytest tests/test_reader.py
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continue-on-error: true
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- name: Run Nomad Examples tests
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run: |
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pytest tests/test_nomad_examples.py
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continue-on-error: true

.github/workflows/pylint.yml

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runs-on: ubuntu-latest
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steps:
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- uses: actions/checkout@v2
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- name: Set up Python 3.11
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- name: Set up Python 3.10
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uses: actions/setup-python@v2
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with:
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python-version: "3.11"
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python-version: "3.10"
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- name: Install dependencies
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run: |
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git submodule sync --recursive

.github/workflows/pytest.yml

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fail-fast: false
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matrix:
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python_version: ["3.10", "3.11", "3.12"]
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pynxtools_versions: ["master"]
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steps:
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- uses: actions/checkout@v4
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run: |
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python -m pip install --upgrade pip
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curl -LsSf https://astral.sh/uv/install.sh | sh
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- name: Install pynxtools version ${{ matrix.pynxtools_versions }}
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run: |
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PYNXTOOLS_VERSION="${{ matrix.pynxtools_versions }}"
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uv pip uninstall pynxtools -q
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if [ "$PYNXTOOLS_VERSION" == "master" ]; then
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uv pip install pynxtools@git+https://github.com/FAIRmat-NFDI/pynxtools@${{ matrix.pynxtools_versions }}
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elif [ "$PYNXTOOLS_VERSION" == "latest_release" ]; then
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uv pip install pynxtools
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else
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uv pip install pynxtools==${{ matrix.pynxtools_versions }}
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fi
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- name: Install nomad
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if: "${{ matrix.python_version != '3.8'}}"
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run: |

README.md

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![](https://coveralls.io/repos/github/FAIRmat-NFDI/pynxtools_spm/badge.svg?branch=master)
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# STS reader
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For proper docs please follow the link in [GitHub documentation page](https://FAIRmat-NFDI.github.io/pynxtools-spm/)

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