Big infrastructure update for upcoming release

.codecov.yml

@@ -0,0 +1,12 @@
+coverage:
+  ignore:
+    - "examples/.*"
+    - "src/spectrumkit/_version.py"
+    - "tests/.*"
+  status:
+    project:
+      default:
+        target: auto
+    patch: false
+
+comment: false

.github/ISSUE_TEMPLATE/1-bug_report.yml

@@ -0,0 +1,78 @@
+name: 🐛 Bug report
+description: Create a bug report to help us eliminate issues and improve.
+title: "BUG: "
+labels: [bug]
+body:
+  - type: markdown
+    attributes:
+      value: |
+        Thanks for taking the time to fill out this bug report!
+  - type: textarea
+    id: summary
+    attributes:
+      label: Summary
+      description: A clear and concise description of what the bug is.
+      placeholder: Describe the bug clearly and concisely.
+    validations:
+      required: true
+  - type: textarea
+    id: expected_behavior
+    attributes:
+      label: Expected behavior
+      description: |
+        A clear and concise description of what you want to do and what you think should happen.
+        (Code and files to reproduce the behavior can be added below).
+      placeholder: Describe what you expected to happen.
+    validations:
+      required: true
+  - type: textarea
+    id: actual_behavior
+    attributes:
+      label: Actual behavior
+      description: |
+        Describe the actual behavior, how it differs from the expected behavior, and how this can be observed.
+
+        Try to be specific and do **not** use vague terms like "doesn't work" or "wrong result".
+
+        Do not assume that the person reading this has any experience with or knowledge of your specific area of research.
+      placeholder: Describe the actual behavior.
+    validations:
+      required: true
+  - type: input
+    id: version
+    attributes:
+      label: Version
+      description: |
+        What versions of spectrumkit and MAICoS are you using and on what platform? You can find them by running:
+
+        ```bash
+        python -c "import spectrumkit, maicos; print(spectrumkit.__version__, maicos.__version__)"
+        python -V
+        ```
+      placeholder: e.g., 0.1.0, 0.13
+    validations:
+      required: true
+  - type: textarea
+    id: steps_to_reproduce
+    attributes:
+      label: Steps to reproduce
+      description: |
+        Describe the steps required to (quickly) reproduce the issue.
+
+        You can attach (small) files to the section below or add URLs where to download an archive with all necessary files.
+
+        Please try to create an input set that is as minimal and small as possible and reproduces the bug as quickly as possible.
+
+        **NOTE:** the less effort and time it takes to reproduce your reported bug, the more likely it becomes that somebody will look into it and fix the problem.
+      placeholder: List the steps to reproduce here.
+    validations:
+      required: false
+  - type: textarea
+    id: further_info
+    attributes:
+      label: Further information, files, and links
+      description: |
+        Any relevant information that might help us to understand the issue.
+      placeholder: Add relevant files, logs, or links here.
+    validations:
+      required: false

.github/ISSUE_TEMPLATE/2-documentation_issue.yml

@@ -0,0 +1,45 @@
+name: 📚 Documentation issue
+description: Report an issue related to the documentation.
+title: "DOC: "
+labels: [documentation]
+body:
+  - type: markdown
+    attributes:
+      value: |
+        Report a mistake, missing information, or improvement suggestion related to the documentation.
+  - type: textarea
+    id: location
+    attributes:
+      label: Location of the issue
+      description: |
+        Provide the location of the documentation issue. This could be a URL, file path, or section heading.
+      placeholder: e.g., https://maicos-devel.github.io/spectrumkit/stable/get-started/installation.html or "Getting started -> Installation"
+    validations:
+      required: true
+  - type: textarea
+    id: description
+    attributes:
+      label: Description of the issue
+      description: |
+        Describe the issue you found. Be as specific as possible.
+        For example: typo, outdated information, unclear explanation, missing example, etc.
+      placeholder: Describe the problem clearly.
+    validations:
+      required: true
+  - type: textarea
+    id: suggestion
+    attributes:
+      label: Suggested fix or improvement (optional)
+      description: |
+        If you have an idea of how to fix or improve the documentation, please share it here.
+      placeholder: Suggest the corrected text or improvement.
+    validations:
+      required: false
+  - type: textarea
+    id: additional_context
+    attributes:
+      label: Additional context
+      description: Add any other context, screenshots, or links that might help clarify the issue.
+      placeholder: Additional context, links, or screenshots.
+    validations:
+      required: false

.github/ISSUE_TEMPLATE/3-feature_request.yml

@@ -0,0 +1,43 @@
+name: ✨ Feature request
+description: Suggest an idea or improvement.
+title: "FEATURE: "
+labels: [enhancement]
+body:
+  - type: markdown
+    attributes:
+      value: |
+        Suggest an idea or improvement for this project.
+  - type: textarea
+    id: problem_description
+    attributes:
+      label: Is your feature request related to a problem? Please describe.
+      description: |
+        A clear and concise description of what the problem is.
+        Example: "I'm always frustrated when [...]"
+      placeholder: Describe the problem you are facing or the motivation for the feature.
+    validations:
+      required: true
+  - type: textarea
+    id: solution
+    attributes:
+      label: Describe the solution you'd like
+      description: A clear and concise description of what you want to happen.
+      placeholder: Describe the ideal solution or feature you would like to see.
+    validations:
+      required: true
+  - type: textarea
+    id: alternatives
+    attributes:
+      label: Describe alternatives you've considered
+      description: A clear and concise description of any alternative solutions or features you've considered.
+      placeholder: Mention any workarounds or alternative ideas you have explored.
+    validations:
+      required: false
+  - type: textarea
+    id: additional_context
+    attributes:
+      label: Additional context
+      description: Add any other context or screenshots about the feature request here.
+      placeholder: Provide links, images, or related discussions if available.
+    validations:
+      required: false

.github/ISSUE_TEMPLATE/4-blank_issue.yml

@@ -0,0 +1,12 @@
+name: 📝 Blank issue
+description: Create a new issue from scratch.
+body:
+  - type: textarea
+    id: description
+    attributes:
+      label: Description of the issue
+      description: |
+        Describe the issue you found. Be as specific as possible.
+      placeholder: Describe the problem clearly.
+    validations:
+      required: true

.github/ISSUE_TEMPLATE/config.yml

@@ -0,0 +1,5 @@
+blank_issues_enabled: false
+contact_links:
+  - name: 💬 Questions & Discussions
+    url: https://discord.gg/mnrEQWVAed
+    about: Please ask and answer questions on our discord server.

.github/workflows/build.yml

@@ -31,15 +31,17 @@ jobs:
           check-latest: true
 
       - name: Install dependencies
-        run: python -m pip install wheel build tox
+        run: python -m pip install tox
 
-      - name: Test build integrity
+      - name: Test build integrity and build sdist
         run: tox -e build
 
       - uses: actions/upload-artifact@v7
         with:
-          name: build
-          path: dist/*
+          name: files
+          path: |
+            dist/*.tar.gz
+            dist/*.whl
 
   release:
     name: Release package

.github/workflows/docs.yml

@@ -24,11 +24,15 @@ jobs:
           check-latest: true
 
       - name: install dependencies
-        run: python -m pip install tox
+        run: python -m pip install tox gitpython
 
       - name: build documentation
         run: tox -e docs
 
+      - name: Check for Changelog
+        if: github.event_name == 'pull_request'
+        run: python ./developer/check_changelog.py
+
       - name: put documentation in the website
         run: |
           git clone https://github.com/$GITHUB_REPOSITORY --branch gh-pages gh-pages

.github/workflows/tests-dev.yml

@@ -0,0 +1,58 @@
+name: Tests dev
+
+on:
+  schedule:
+    # check once a week on mondays
+    - cron: '0 10 * * 1'
+
+jobs:
+  tests-dev:
+    runs-on: ubuntu-latest
+    strategy:
+      matrix:
+        python-version: ["3.11", "3.14"]
+
+    steps:
+      - uses: actions/checkout@v7
+        with:
+          fetch-depth: 0
+
+      - name: Set up Python ${{ matrix.python-version }}
+        uses: actions/setup-python@v7
+        with:
+          python-version: ${{ matrix.python-version }}
+
+      - name: Install tests dependencies
+        run: python -m pip install tox
+
+      - name: Run tests against MAICoS dev version
+        run: tox -e tests-dev
+
+  tests-release:
+    runs-on: ubuntu-latest
+    strategy:
+      matrix:
+        python-version: ["3.11", "3.14"]
+
+    steps:
+      - uses: actions/checkout@v7
+        with:
+          fetch-depth: 0
+
+      - name: Set up Python ${{ matrix.python-version }}
+        uses: actions/setup-python@v7
+        with:
+          python-version: ${{ matrix.python-version }}
+
+      # v0.1.0 predates tests/requirements.txt, so install them before the checkout
+      - name: Install released spectrumkit and test dependencies
+        run: |
+          python -m pip install spectrumkit
+          python -m pip install -r tests/requirements.txt
+          python -m pip list
+
+      - name: Check out latest release tag
+        run: git checkout $(git describe --tags --abbrev=0)
+
+      - name: Run tests against released versions
+        run: pytest