psdi-data-conversion 0.0.23__tar.gz → 0.0.30__tar.gz

psdi_data_conversion-0.0.30/.github/workflows/ci-release.yml

@@ -0,0 +1,130 @@
+# Workflow for continuous integration tasks triggered on push to release
+
+name: CI - Release
+run-name: CI - Release
+on:
+  workflow_dispatch:
+  push:
+    branches: ["release"]
+
+jobs:
+  test-python:
+    uses: ./.github/workflows/job-test-python.yml
+  test-gui:
+    uses: ./.github/workflows/job-test-gui.yml
+
+  # The commented out code below runs a code vulnerability scan on the
+  # containerised app. This will not work on the free GitHub plan, since
+  # for that plan code scanning is not supported for private repos - and
+  # this is a private repo. There may be a work-around.
+  #
+  # NOTE: If you uncomment this job to use it you may wish to change the
+  # 'needs' in the below 'tag-container-push' job from 'test-package'
+  # to 'anchore-scan' if you want to make a release dependent on a successful
+  # scan.
+  #
+  #anchore-scan:
+  #  uses: ./.github/workflows/anchore-scan.yml
+  #  needs: [test-package, test-gui]
+
+  tag:
+    uses: ./.github/workflows/job-tag.yml
+    needs: [test-python, test-gui]
+
+  container-push:
+    uses: ./.github/workflows/job-container-push.yml
+    needs: [tag]
+    with:
+      container_tag: ${{ needs.tag.outputs.container_tag }}
+
+  publish-doc:
+    needs: [tag]
+    uses: ./.github/workflows/job-publish-doc.yml
+
+  # Deploy to Kubernetes Job
+  # Requires an environment, which must reflect the target environment as defined in the
+  # GitHub repository: https://github.com/PSDI-UK/psdi-data-conversion/settings/environments
+  # The downstream deploy job leverages on Environment specific secrets, which also must be defined
+  deploy-stfc-staging-k8s:
+    needs: [tag]
+    uses: ./.github/workflows/job-deploy-k8s.yml # use the callable deploy job
+    secrets: inherit # pass all secrets for the environment
+    with:
+      container_tag: ${{ needs.tag.outputs.container_tag }}
+      environment: staging
+
+  build:
+    needs: [tag]
+    name: Build distribution 📦
+    runs-on: ubuntu-latest
+
+    steps:
+      - uses: actions/checkout@v4
+        with:
+          fetch-depth: 0
+          persist-credentials: false
+      - name: Set up Python
+        uses: actions/setup-python@v5
+        with:
+          python-version: "3.x"
+      - name: Install pypa/build
+        run: >-
+          python3 -m
+          pip install
+          build
+          --user
+      - name: Build a binary wheel and a source tarball
+        run: python3 -m build
+      - name: Store the distribution packages
+        uses: actions/upload-artifact@v4
+        with:
+          name: python-package-distributions
+          path: dist/
+
+  publish-to-testpypi:
+    name: Publish Python 🐍 distribution 📦 to TestPyPI
+    needs:
+      - build
+    runs-on: ubuntu-latest
+
+    environment:
+      name: testpypi
+      url: https://test.pypi.org/p/psdi-data-conversion
+
+    permissions:
+      id-token: write # IMPORTANT: mandatory for trusted publishing
+
+    steps:
+      - name: Download all the dists
+        uses: actions/download-artifact@v4
+        with:
+          name: python-package-distributions
+          path: dist/
+      - name: Publish distribution 📦 to TestPyPI
+        uses: pypa/gh-action-pypi-publish@release/v1
+        with:
+          repository-url: https://test.pypi.org/legacy/
+          verbose: true
+
+  publish-to-pypi:
+    name: >-
+      Publish Python 🐍 distribution 📦 to PyPI
+    needs:
+      - publish-to-testpypi
+    runs-on: ubuntu-latest
+    environment:
+      name: pypi
+      url: https://pypi.org/p/psdi-data-conversion
+    permissions:
+      id-token: write # IMPORTANT: mandatory for trusted publishing
+
+    steps:
+      - name: Download all the dists
+        uses: actions/download-artifact@v4
+        with:
+          name: python-package-distributions
+          path: dist/
+      - name: Publish distribution 📦 to PyPI
+        uses: pypa/gh-action-pypi-publish@release/v1
+        with:
+          verbose: true

{psdi_data_conversion-0.0.23 → psdi_data_conversion-0.0.30}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: psdi_data_conversion
-Version: 0.0.23
+Version: 0.0.30
 Summary: Chemistry file format conversion service, provided by PSDI
 Project-URL: Homepage, https://psdidev2.azurewebsites.net/
 Project-URL: Documentation, https://psdi-uk.github.io/psdi-data-conversion/

psdi_data_conversion-0.0.30/psdi_data_conversion/static/content/index-versions/psdi-common-footer.html

@@ -0,0 +1,96 @@
+<!-- This is the common footer which will be added to all pages. Everything in this file will be added within the div
+ that loads it. -->
+
+<div class="max-width-box">
+  <div class="footer__links">
+    <div id="footer__links__left">
+      <div class="footer__title">
+        <h6>Funding</h6>
+      </div>
+      <h6 class="footer__title"><br></h6>
+      <div class="footer__hline">
+        <hr>
+      </div>
+      <ul class="footer__col footer__items clean-list">
+        <li class="funding-text">PSDI acknowledges the funding support by the EPSRC grants EP/X032701/1, EP/X032663/1
+          and EP/W032252/1</li>
+      </ul>
+      <ul class="footer__col footer__items clean-list">
+        <li>
+          <img class="lm-only" src="static/img/ukri-logo-lighttext.png"
+            alt="UKRI logo">
+          <img class="dm-only" src="static/img/ukri-logo-darktext.png"
+            alt="UKRI logo">
+        </li>
+        <li>
+          <img class="lm-only" src="static/img/ukri-epsr-logo-lighttext.png"
+            alt="UKRI EPSR logo">
+          <img class="dm-only" src="static/img/ukri-epsr-logo-darktext.png"
+            alt="UKRI EPSR logo">
+        </li>
+      </ul>
+      <div class="footer__hline small-screen-only">
+        <hr>
+      </div>
+    </div>
+    <div id="footer__links__right">
+      <div class="footer__title">
+        <h6>Useful Links</h6>
+      </div>
+      <div class="footer__title">
+        <h6>Connect</h6>
+      </div>
+      <div class="footer__hline">
+        <hr>
+      </div>
+      <ul class="footer__col footer__items clean-list">
+        <li><a href="https://psdi.ac.uk/">PSDI Home</a></li>
+        <li><a href="mailto:support@psdi.ac.uk">Contact Us</a></li>
+        <li><a href="https://www.psdi.ac.uk/privacy/">Privacy</a></li>
+        <li><a href="https://www.psdi.ac.uk/terms-and-conditions/">Terms and Conditions</a></li>
+      </ul>
+      <ul class="footer__col footer__items clean-list" id="footer-connect">
+        <li><a href="https://www.jiscmail.ac.uk/cgi-bin/wa-jisc.exe?SUBED1=PSDI&A=1">Mailing List</a></li>
+        <li id="footer-icon-list">
+          <a href="https://www.linkedin.com/company/psdiuk/" class="footer-icon">
+            <img src="static/img/social-logo-linkedin-white.png"
+              alt="LinkedIn icon" class="lm-only">
+            <img src="static/img/social-logo-linkedin-black.png"
+              alt="LinkedIn icon" class="dm-only">
+          </a>
+          <a href="https://twitter.com/psdi_uk" class="footer-icon">
+            <img src="static/img/social-logo-x-white.svg" alt="X icon"
+              class="lm-only">
+            <img src="static/img/social-logo-x-black.svg" alt="X icon"
+              class="dm-only">
+          </a>
+          <a href="https://www.youtube.com/@PSDI_UK" class="footer-icon">
+            <img src="static/img/social-logo-youtube-white.png" alt="YouTube icon"
+              class="lm-only">
+            <img src="static/img/social-logo-youtube-black.png" alt="YouTube icon"
+              class="dm-only">
+          </a>
+          <a href="https://bsky.app/profile/psdi-uk.bsky.social" class="footer-icon">
+            <img src="static/img/social-logo-bluesky-white.svg" alt="Bluesky icon"
+              class="lm-only">
+            <img src="static/img/social-logo-bluesky-black.svg" alt="Bluesky icon"
+              class="dm-only">
+          </a>
+          <a href="https://mstdn.science/@PSDI" class="footer-icon">
+            <img src="static/img/social-logo-mastodon-white.svg"
+              alt="Mastodon icon" class="lm-only">
+            <img src="static/img/social-logo-mastodon-black.svg"
+              alt="Mastodon icon" class="dm-only">
+          </a>
+        </li>
+      </ul>
+      <div class="footer__hline small-screen-only">
+        <hr>
+      </div>
+    </div>
+  </div>
+  <div class="footer__hline big-screen-only">
+    <hr>
+  </div>
+  <div class="footer__copyright__text text--center">Copyright © 2025 Physical Sciences Data Infrastructure (PSDI)</div>
+</div>

psdi_data_conversion-0.0.30/psdi_data_conversion/static/content/psdi-common-footer.html

@@ -0,0 +1,96 @@
+<!-- This is the common footer which will be added to all pages. Everything in this file will be added within the div
+ that loads it. -->
+
+<div class="max-width-box">
+  <div class="footer__links">
+    <div id="footer__links__left">
+      <div class="footer__title">
+        <h6>Funding</h6>
+      </div>
+      <h6 class="footer__title"><br></h6>
+      <div class="footer__hline">
+        <hr>
+      </div>
+      <ul class="footer__col footer__items clean-list">
+        <li class="funding-text">PSDI acknowledges the funding support by the EPSRC grants EP/X032701/1, EP/X032663/1
+          and EP/W032252/1</li>
+      </ul>
+      <ul class="footer__col footer__items clean-list">
+        <li>
+          <img class="lm-only" src="../img/ukri-logo-lighttext.png"
+            alt="UKRI logo">
+          <img class="dm-only" src="../img/ukri-logo-darktext.png"
+            alt="UKRI logo">
+        </li>
+        <li>
+          <img class="lm-only" src="../img/ukri-epsr-logo-lighttext.png"
+            alt="UKRI EPSR logo">
+          <img class="dm-only" src="../img/ukri-epsr-logo-darktext.png"
+            alt="UKRI EPSR logo">
+        </li>
+      </ul>
+      <div class="footer__hline small-screen-only">
+        <hr>
+      </div>
+    </div>
+    <div id="footer__links__right">
+      <div class="footer__title">
+        <h6>Useful Links</h6>
+      </div>
+      <div class="footer__title">
+        <h6>Connect</h6>
+      </div>
+      <div class="footer__hline">
+        <hr>
+      </div>
+      <ul class="footer__col footer__items clean-list">
+        <li><a href="https://psdi.ac.uk/">PSDI Home</a></li>
+        <li><a href="mailto:support@psdi.ac.uk">Contact Us</a></li>
+        <li><a href="https://www.psdi.ac.uk/privacy/">Privacy</a></li>
+        <li><a href="https://www.psdi.ac.uk/terms-and-conditions/">Terms and Conditions</a></li>
+      </ul>
+      <ul class="footer__col footer__items clean-list" id="footer-connect">
+        <li><a href="https://www.jiscmail.ac.uk/cgi-bin/wa-jisc.exe?SUBED1=PSDI&A=1">Mailing List</a></li>
+        <li id="footer-icon-list">
+          <a href="https://www.linkedin.com/company/psdiuk/" class="footer-icon">
+            <img src="../img/social-logo-linkedin-white.png"
+              alt="LinkedIn icon" class="lm-only">
+            <img src="../img/social-logo-linkedin-black.png"
+              alt="LinkedIn icon" class="dm-only">
+          </a>
+          <a href="https://twitter.com/psdi_uk" class="footer-icon">
+            <img src="../img/social-logo-x-white.svg" alt="X icon"
+              class="lm-only">
+            <img src="../img/social-logo-x-black.svg" alt="X icon"
+              class="dm-only">
+          </a>
+          <a href="https://www.youtube.com/@PSDI_UK" class="footer-icon">
+            <img src="../img/social-logo-youtube-white.png" alt="YouTube icon"
+              class="lm-only">
+            <img src="../img/social-logo-youtube-black.png" alt="YouTube icon"
+              class="dm-only">
+          </a>
+          <a href="https://bsky.app/profile/psdi-uk.bsky.social" class="footer-icon">
+            <img src="../img/social-logo-bluesky-white.svg" alt="Bluesky icon"
+              class="lm-only">
+            <img src="../img/social-logo-bluesky-black.svg" alt="Bluesky icon"
+              class="dm-only">
+          </a>
+          <a href="https://mstdn.science/@PSDI" class="footer-icon">
+            <img src="../img/social-logo-mastodon-white.svg"
+              alt="Mastodon icon" class="lm-only">
+            <img src="../img/social-logo-mastodon-black.svg"
+              alt="Mastodon icon" class="dm-only">
+          </a>
+        </li>
+      </ul>
+      <div class="footer__hline small-screen-only">
+        <hr>
+      </div>
+    </div>
+  </div>
+  <div class="footer__hline big-screen-only">
+    <hr>
+  </div>
+  <div class="footer__copyright__text text--center">Copyright © 2025 Physical Sciences Data Infrastructure (PSDI)</div>
+</div>

{psdi_data_conversion-0.0.23 → psdi_data_conversion-0.0.30}/pyproject.toml

@@ -56,8 +56,11 @@ Changelog = "https://github.com/PSDI-UK/psdi-data-conversion/blob/main/CHANGELOG
 Download = "https://github.com/PSDI-UK/psdi-data-conversion/releases/latest"
 
 # Hatch-specific configuration
-[tool.hatch]
-version = { source = "vcs" } # Use version Git tags
+[tool.hatch.version]
+source = "vcs"
+
+[tool.hatch.version.raw-options]
+local_scheme = "no-local-version"
 
 [tool.hatch.build]
 exclude = [

psdi_data_conversion-0.0.23/.github/workflows/ci-release.yml

@@ -1,59 +0,0 @@
-# Workflow for continuous integration tasks triggered on push to release
-
-name: CI - Release
-run-name: CI - Release
-on:
-  workflow_dispatch:
-  push:
-    branches: ["release"]
-
-jobs:
-  test-python:
-    uses: ./.github/workflows/job-test-python.yml
-  test-gui:
-    uses: ./.github/workflows/job-test-gui.yml
-
-  # The commented out code below runs a code vulnerability scan on the
-  # containerised app. This will not work on the free GitHub plan, since
-  # for that plan code scanning is not supported for private repos - and
-  # this is a private repo. There may be a work-around.
-  #
-  # NOTE: If you uncomment this job to use it you may wish to change the
-  # 'needs' in the below 'tag-container-push' job from 'test-package'
-  # to 'anchore-scan' if you want to make a release dependent on a successful
-  # scan.
-  #
-  #anchore-scan:
-  #  uses: ./.github/workflows/anchore-scan.yml
-  #  needs: [test-package, test-gui]
-
-  tag:
-    uses: ./.github/workflows/job-tag.yml
-    needs: [test-python, test-gui]
-
-  container-push:
-    uses: ./.github/workflows/job-container-push.yml
-    needs: [tag]
-    with:
-      container_tag: ${{ needs.tag.outputs.container_tag }}
-
-  publish-doc:
-    needs: [tag]
-    uses: ./.github/workflows/job-publish-doc.yml
-
-  # Deploy to Kubernetes Job
-  # Requires an environment, which must reflect the target environment as defined in the
-  # GitHub repository: https://github.com/PSDI-UK/psdi-data-conversion/settings/environments
-  # The downstream deploy job leverages on Environment specific secrets, which also must be defined
-  deploy-stfc-staging-k8s:
-    needs: [tag]
-    uses: ./.github/workflows/job-deploy-k8s.yml # use the callable deploy job
-    secrets: inherit # pass all secrets for the environment
-    with:
-      container_tag: ${{ needs.tag.outputs.container_tag }}
-      environment: staging
-
-  # Publish to PyPI - uncomment once ready for regular publishing
-  # publish-pypi:
-  #   needs: [tag]
-  #   uses: ./.github/workflows/job-publish-pypi.yml

psdi_data_conversion-0.0.23/.github/workflows/job-publish-pypi.yml

@@ -1,74 +0,0 @@
-# Reusable workflow to upload a Python Package to PyPI
-
-# For more information see: https://docs.github.com/en/actions/use-cases-and-examples/building-and-testing/building-and-testing-python#publishing-to-pypi
-
-# This workflow uses actions that are not certified by GitHub.
-# They are provided by a third-party and are governed by
-# separate terms of service, privacy policy, and support
-# documentation.
-
-name: Job - Publish to PyPI
-run-name: Publish to PyPI
-
-on:
-  workflow_call:
-  workflow_dispatch:
-
-permissions:
-  contents: read
-
-jobs:
-  release-build:
-    runs-on: ubuntu-latest
-
-    steps:
-      - uses: actions/checkout@v4
-
-      - uses: actions/setup-python@v5
-        with:
-          python-version: "3.x"
-
-      - name: Build release distributions
-        run: |
-          # NOTE: put your own distribution build steps here.
-          python -m pip install build
-          python -m build
-
-      - name: Upload distributions
-        uses: actions/upload-artifact@v4
-        with:
-          name: release-dists
-          path: dist/
-
-  pypi-publish:
-    runs-on: ubuntu-latest
-    needs:
-      - release-build
-    permissions:
-      # IMPORTANT: this permission is mandatory for trusted publishing
-      id-token: write
-
-    # Dedicated environments with protections for publishing are strongly recommended.
-    # For more information, see: https://docs.github.com/en/actions/deployment/targeting-different-environments/using-environments-for-deployment#deployment-protection-rules
-    environment:
-      name: "Production"
-      # OPTIONAL: uncomment and update to include your PyPI project URL in the deployment status:
-      # url: https://pypi.org/p/psdi-data-conversion
-      #
-      # ALTERNATIVE: if your GitHub Release name is the PyPI project version string
-      # ALTERNATIVE: exactly, uncomment the following line instead:
-      url: https://pypi.org/project/psdi-data-conversion/${{ github.event.release.name }}
-
-    steps:
-      - name: Retrieve release distributions
-        uses: actions/download-artifact@v4
-        with:
-          name: release-dists
-          path: dist/
-
-      # This workflow uses Trustred Publishing to authenticate, which requires some setup on PyPI. For details, see:
-      # https://docs.github.com/en/actions/security-for-github-actions/security-hardening-your-deployments/configuring-openid-connect-in-pypi
-      - name: Publish release distributions to PyPI
-        uses: pypa/gh-action-pypi-publish@release/v1
-        with:
-          packages-dir: dist/

psdi_data_conversion-0.0.23/psdi_data_conversion/static/content/index-versions/psdi-common-footer.html

@@ -1,99 +0,0 @@
-<!-- This is the common footer which will be added to all pages. Everything in this file will be added within the div
- that loads it. -->
-
-<div class="max-width-box">
-  <div class="footer__links">
-    <div id="footer__links__left">
-      <div class="footer__title">
-        <h6>Funding</h6>
-      </div>
-      <h6 class="footer__title"><br></h6>
-      <div class="footer__hline">
-        <hr>
-      </div>
-      <ul class="footer__col footer__items clean-list">
-        <li class="funding-text">PSDI acknowledges the funding support by the EPSRC grants EP/X032701/1, EP/X032663/1
-          and EP/W032252/1</li>
-      </ul>
-      <ul class="footer__col footer__items clean-list">
-        <li>
-          <img class="lm-only" src="static/img/ukri-logo-lighttext.png"
-            alt="UKRI logo">
-          <img class="dm-only" src="static/img/ukri-logo-darktext.png"
-            alt="UKRI logo">
-        </li>
-        <li>
-          <img class="lm-only" src="static/img/ukri-epsr-logo-lighttext.png"
-            alt="UKRI EPSR logo">
-          <img class="dm-only" src="static/img/ukri-epsr-logo-darktext.png"
-            alt="UKRI EPSR logo">
-        </li>
-      </ul>
-      <div class="footer__hline small-screen-only">
-        <hr>
-      </div>
-    </div>
-    <div id="footer__links__right">
-      <div class="footer__title">
-        <h6>Useful Links</h6>
-      </div>
-      <div class="footer__title">
-        <h6>Connect</h6>
-      </div>
-      <div class="footer__hline">
-        <hr>
-      </div>
-      <ul class="footer__col footer__items clean-list">
-        <li><a href="https://psdi.ac.uk/">PSDI Home</a></li>
-        <li><a href="mailto:support@psdi.ac.uk">Contact Us</a></li>
-        <li><a href="#">Privacy</a></li>
-        <li><a href="#">Terms and Conditions</a></li>
-      </ul>
-      <p class="footer__col" id="footer-icon-list">
-        <a href="https://www.linkedin.com/company/psdiuk/" class="footer-icon">
-          <img src="static/img/social-logo-linkedin-white.png" alt="LinkedIn icon"
-            class="lm-only">
-          <img src="static/img/social-logo-linkedin-black.png" alt="LinkedIn icon"
-            class="dm-only">
-        </a>
-        <a href="https://twitter.com/psdi_uk" class="footer-icon">
-          <img src="static/img/social-logo-x-white.svg" alt="X icon"
-            class="lm-only">
-          <img src="static/img/social-logo-x-black.svg" alt="X icon"
-            class="dm-only">
-        </a>
-        <a href="https://www.instagram.com/psdi_uk" class="footer-icon">
-          <img src="static/img/social-logo-instagram-white.svg"
-            alt="Instagram icon" class="lm-only">
-          <img src="static/img/social-logo-instagram-black.svg"
-            alt="Instagram icon" class="dm-only">
-        </a>
-        <a href="https://www.youtube.com/@PSDI_UK" class="footer-icon">
-          <img src="static/img/social-logo-youtube-white.png" alt="YouTube icon"
-            class="lm-only">
-          <img src="static/img/social-logo-youtube-black.png" alt="YouTube icon"
-            class="dm-only">
-        </a>
-        <a href="https://bsky.app/profile/psdi-uk.bsky.social" class="footer-icon">
-          <img src="static/img/social-logo-bluesky-white.svg" alt="Bluesky icon"
-            class="lm-only">
-          <img src="static/img/social-logo-bluesky-black.svg" alt="Bluesky icon"
-            class="dm-only">
-        </a>
-        <a href="https://mstdn.science/@PSDI" class="footer-icon">
-          <img src="static/img/social-logo-mastodon-white.svg" alt="Mastodon icon"
-            class="lm-only">
-          <img src="static/img/social-logo-mastodon-black.svg" alt="Mastodon icon"
-            class="dm-only">
-        </a>
-      </p>
-      <div class="footer__hline small-screen-only">
-        <hr>
-      </div>
-    </div>
-  </div>
-  <div class="footer__hline big-screen-only">
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