easydiffraction 0.14.0__tar.gz → 0.16.0__tar.gz

{easydiffraction-0.14.0 → easydiffraction-0.16.0}/.copier-answers.yml

@@ -1,6 +1,6 @@
 # WARNING: Do not edit this file manually.
 # Any changes will be overwritten by Copier.
-_commit: v0.10.1-41-g508666e
+_commit: v0.11.0-7-gb5113cf
 _src_path: gh:easyscience/templates
 app_docs_url: https://easyscience.github.io/diffraction-app
 app_doi: 10.5281/zenodo.18163581
@@ -17,9 +17,8 @@ lib_python_min: '3.12'
 lib_repo_name: diffraction-lib
 project_contact_email: support@easydiffraction.org
 project_copyright_years: 2021-2026
-project_extended_description: A software for calculating neutron powder diffraction
-    patterns based on a structural model and refining its parameters against experimental
-    data
+project_extended_description: A software for calculating diffraction patterns based
+    on a structural model and refining its parameters against experimental data
 project_name: EasyDiffraction
 project_short_description: Diffraction data analysis
 project_shortcut: ED

{easydiffraction-0.14.0 → easydiffraction-0.16.0}/.github/actions/download-artifact/action.yml

@@ -1,5 +1,5 @@
 name: 'Download artifact'
-description: 'Generic wrapper for actions/download-artifact'
+description: 'Wrapper for actions/download-artifact'
 inputs:
   name:
     description: 'Name of the artifact to download'
@@ -39,7 +39,7 @@ runs:
   using: 'composite'
   steps:
     - name: Download artifact
-      uses: actions/download-artifact@v4
+      uses: actions/download-artifact@v8
       with:
         name: ${{ inputs.name }}
         path: ${{ inputs.path }}

{easydiffraction-0.14.0 → easydiffraction-0.16.0}/.github/actions/github-script/action.yml

@@ -13,7 +13,7 @@ inputs:
 runs:
   using: 'composite'
   steps:
-    - uses: actions/github-script@v8
+    - uses: actions/github-script@v9
       with:
         script: ${{ inputs.script }}
         github-token: ${{ inputs.github-token }}

{easydiffraction-0.14.0 → easydiffraction-0.16.0}/.github/actions/setup-easyscience-bot/action.yml

@@ -22,9 +22,9 @@ runs:
   steps:
     - name: Create GitHub App installation token
       id: app-token
-      uses: actions/create-github-app-token@v2
+      uses: actions/create-github-app-token@v3
       with:
-        app-id: ${{ inputs.app-id }}
+        client-id: ${{ inputs.app-id }}
         private-key: ${{ inputs.private-key }}
         repositories: ${{ inputs.repositories }}
 

{easydiffraction-0.14.0 → easydiffraction-0.16.0}/.github/actions/setup-pixi/action.yml

@@ -1,5 +1,5 @@
 name: 'Setup Pixi Environment'
-description: 'Sets up pixi with common configuration'
+description: 'Wrapper for prefix-dev/setup-pixi'
 inputs:
   environments:
     description: 'Pixi environments to setup'

{easydiffraction-0.14.0 → easydiffraction-0.16.0}/.github/actions/upload-artifact/action.yml

@@ -1,5 +1,5 @@
 name: 'Upload artifact'
-description: 'Generic wrapper for actions/upload-artifact'
+description: 'Wrapper for actions/upload-artifact'
 inputs:
   name:
     description: 'Artifact name'
@@ -38,7 +38,7 @@ runs:
   using: 'composite'
   steps:
     - name: Upload artifact
-      uses: actions/upload-artifact@v4
+      uses: actions/upload-artifact@v7
       with:
         name: ${{ inputs.name }}
         path: ${{ inputs.path }}

{easydiffraction-0.14.0 → easydiffraction-0.16.0}/.github/actions/upload-codecov/action.yml

@@ -1,5 +1,5 @@
 name: 'Upload coverage to Codecov'
-description: 'Generic wrapper for codecov/codecov-action@v5'
+description: 'Wrapper for codecov/codecov-action'
 
 inputs:
   name:
@@ -32,7 +32,7 @@ inputs:
 runs:
   using: composite
   steps:
-    - uses: codecov/codecov-action@v5
+    - uses: codecov/codecov-action@v6
       with:
         name: ${{ inputs.name }}
         flags: ${{ inputs.flags }}

easydiffraction-0.16.0/.github/copilot-instructions.md

@@ -0,0 +1,193 @@
+# Copilot Instructions for EasyDiffraction
+
+## Project Context
+
+- Python library for crystallographic diffraction analysis (refining
+  structural models against experimental data).
+- Domain axes: `sample_form` (powder, single crystal), `beam_mode`
+  (time-of-flight, constant wavelength), `radiation_probe` (neutron,
+  x-ray), `scattering_type` (bragg, total).
+- Calculation backends: `cryspy` and `crysfml` (Bragg), `pdffit2` (total
+  scattering).
+- CIF maps to `DatablockItem`/`DatablockCollection` and
+  `CategoryItem`/`CategoryCollection` (loops). Follow CIF naming;
+  deviate only for a clearly better API.
+- Metadata via frozen dataclasses: `TypeInfo`, `Compatibility`,
+  `CalculatorSupport`.
+- Audience is scientists, often non-programmers: prioritize
+  discoverability, clear errors, and safe defaults over developer
+  ergonomics.
+- Critical-software rigor: every code path tested, edge cases handled
+  explicitly, no silent failures.
+
+## Code Style
+
+- snake_case (functions/vars), PascalCase (classes), UPPER_SNAKE_CASE
+  (constants).
+- `from __future__ import annotations` in every module. Type-annotate
+  all public signatures.
+- Numpy-style docstrings on all public classes/methods (Parameters /
+  Returns / Raises where applicable). Summary is one line ≤72 chars
+  (`max-doc-length`); shorten wording rather than wrap.
+- Flat over nested, explicit over clever, composition over deep
+  inheritance. No defensive checks for unlikely edge cases.
+- One class per file when substantial; group small related classes.
+- No `**kwargs` — use explicit keyword arguments.
+- No string-based dispatch (e.g. `getattr(self, f'_{name}')`); write
+  named methods (`_set_sample_form`, `_set_beam_mode`).
+- Public attrs are either editable (getter+setter property) or read-only
+  (getter only). For internal mutation of read-only props, use a private
+  `_set_<name>` method, not a public setter.
+- Lint complexity thresholds in `pyproject.toml` (`max-args`,
+  `max-branches`, `max-statements`, `max-locals`, `max-nested-blocks`,
+  …) are guardrails. A violation means refactor (extract helpers,
+  parameter objects, flatten) — do not raise thresholds, add `# noqa`,
+  or otherwise silence them. For complex refactors touching many lines
+  or public API, propose a plan and wait for approval.
+
+## Architecture
+
+- Eager top-of-module imports by default. Lazy imports only to break
+  circular deps or to keep `core/` free of heavy imports on rarely-
+  called paths (e.g. `help()`).
+- No `pkgutil`/`importlib` auto-discovery, no background threads, no
+  monkey-patching or runtime class mutation.
+- No `__all__`; control public API via explicit `__init__.py` imports.
+  No redundant `import X as X` aliases.
+- Concrete classes use `@Factory.register`. Each package's `__init__.py`
+  must explicitly import every concrete class to trigger registration —
+  always update it when adding a class.
+- Switchable categories (factory-swappable at runtime) follow this fixed
+  API on the owner (experiment / structure / analysis): `<category>`
+  (read-only), `<category>_type` (getter+setter),
+  `show_supported_<category>_types()`, `show_current_<category>_type()`.
+  The owner owns the type setter and show methods; show methods delegate
+  to `Factory.show_supported(...)`. Required even if only one
+  implementation exists.
+- Categories are flat siblings within their owner. Never nest a category
+  as a child of another category of a different type; cross-reference
+  via IDs instead.
+- Every finite, closed set of values (factory tags, axes, enumerated
+  descriptors) is a `(str, Enum)`; compare against members, not raw
+  strings.
+- Keep `core/` free of domain logic (base classes and utilities only).
+- Don't introduce abstractions before a concrete second use case. Don't
+  add dependencies without asking.
+
+## Testing
+
+- Every new module, class, or bug fix ships with tests. See
+  `docs/architecture/architecture.md` §10 for the full strategy.
+- Unit tests mirror the source tree:
+  `src/easydiffraction/<pkg>/<mod>.py` →
+  `tests/unit/easydiffraction/<pkg>/test_<mod>.py`. Verify with
+  `pixi run test-structure-check`. Supplementary tests:
+  `test_<mod>_coverage.py`. Category packages with only
+  `default.py`/`factory.py` may use one parent-level
+  `test_<package>.py`.
+- Tests expecting `log.error()` to raise must `monkeypatch` Logger to
+  RAISE mode (another test may have leaked WARN mode).
+- `@typechecked` setters raise `typeguard.TypeCheckError`, not
+  `TypeError`.
+- No test-ordering dependence, no network, no sleeping, no real
+  calculation engines in unit tests.
+
+## Tutorials
+
+- Notebooks in `docs/docs/tutorials/*.ipynb` are generated artifacts.
+  Edit only the corresponding `*.py`, then run
+  `pixi run notebook-prepare`.
+
+## Change Discipline
+
+- Before any structural/design change (new categories, factories,
+  switchable-category wiring, datablocks, CIF serialisation), read
+  `docs/architecture/architecture.md` and follow documented patterns.
+  Localised bug fixes or test updates need only this file.
+- Project is in beta: no legacy shims, no deprecation warnings — update
+  tests and tutorials to the current API.
+- Minimal diffs; don't reformat working code. Fix only what's asked;
+  flag adjacent issues as comments. Don't add features or refactor
+  unless asked. Don't remove TODOs or comments unless the change fully
+  resolves them.
+- Never remove or replace existing functionality without explicit
+  confirmation — highlight every removal and wait for approval.
+- When renaming, grep the entire project (code, tests, tutorials, docs).
+- Each change is atomic and single-commit-sized: make one change,
+  suggest the commit message, then stop and wait for confirmation.
+- When in doubt, ask.
+
+## Commits
+
+- Suggest a commit message after each change: code block, ≤72 chars,
+  imperative mood, no type prefix, no `Co-authored-by: Copilot`.
+  Examples:
+  - Add ChebyshevPolynomialBackground class
+  - Implement background_type setter on Experiment
+  - Standardize switchable-category naming convention
+- Stage only the files modified for the step, using explicit paths where
+  practical. Do not include data, project, CIF, or other generated
+  artifacts produced by integration/script/notebook tests unless the
+  user explicitly asked to update them.
+- Before each commit, inspect the worktree and avoid staging unrelated
+  user changes. If unrelated dirty files exist, leave them untouched and
+  mention them only when relevant.
+
+## Workflow
+
+Non-trivial changes use a two-phase workflow:
+
+- **Phase 1 — Implementation.** Code, docs, and architecture updates
+  only. Do not create or run tests unless the user explicitly asks. When
+  done, present for review and iterate until approved.
+- **Phase 2 — Verification.** Add/update tests, then run `pixi run fix`,
+  `pixi run check`, `pixi run unit-tests`, `pixi run integration-tests`,
+  `pixi run script-tests`.
+
+Notes:
+
+- `pixi run fix` regenerates `docs/architecture/package-structure-*.md`
+  automatically — never edit those by hand. Don't review auto-fixes;
+  accept and move on. Then `pixi run check` until clean.
+- Open issues / design questions / planned improvements live in
+  `docs/architecture/issues_open.md` (priority-ordered). On resolution,
+  move to `docs/architecture/issues_closed.md` and update
+  `architecture.md` if affected.
+
+### Planning
+
+When asked to create a plan:
+
+- First gather enough repository context to make the plan concrete. Ask
+  all ambiguous or unclear questions in one concise batch; record
+  unresolved questions in the plan if the user wants it saved before
+  answering them.
+- Save plans as `docs/dev/plan_<feature-name>.md` (lowercase,
+  dash-separated, e.g. `plan_background-refactor.md`). Use the same
+  `<feature-name>` for the implementation branch
+  (`feature/<feature-name>`). Do not push the branch unless asked.
+- Include a status checklist with `[ ]` items; mark `[x]` as completed
+  during implementation.
+- Apply the two-phase workflow (Phase 1 implementation, Phase 2
+  verification) to non-trivial plans. Stop after Phase 1 and ask the
+  user to review before starting Phase 2.
+- The plan must explicitly state that, when an AI agent follows it,
+  every completed Phase 1 implementation step must be staged with
+  explicit paths and committed locally before moving to the next
+  implementation step or the Phase 1 review gate. Follow the rules in
+  **Commits**. Keep commits atomic, single-purpose, and aligned with
+  plan steps.
+- If implementation uncovers a serious requirement, risk, design issue,
+  or scope change not covered by the plan, stop and ask the user for
+  clarification or approval before proceeding. Record the unresolved
+  issue in the plan when useful.
+- The plan should be easy to maintain while working: include concrete
+  files likely to change, decisions already made, open questions,
+  verification commands for Phase 2, and a short suggested commit
+  message or branch name when useful.
+- End every plan with a "Suggested Pull Request" section containing a
+  short PR title and a brief end-user-oriented description. Keep this
+  section non-technical enough for scientists and other users to
+  understand the benefit. Update it during implementation if extra
+  approved changes become important enough to mention in the PR title or
+  description.

easydiffraction-0.16.0/.github/scripts/publish-dashboard.sh

@@ -0,0 +1,77 @@
+#!/usr/bin/env bash
+
+set -euo pipefail
+
+remote_repository="${DASHBOARD_REMOTE_REPOSITORY:?}"
+publish_branch="${DASHBOARD_PUBLISH_BRANCH:-master}"
+source_dir="${DASHBOARD_SOURCE_DIR:?}"
+token="${DASHBOARD_TOKEN:?}"
+git_user_name="${DASHBOARD_GIT_USER_NAME:-easyscience[bot]}"
+git_user_email="${DASHBOARD_GIT_USER_EMAIL:?}"
+commit_message="${DASHBOARD_COMMIT_MESSAGE:?}"
+max_attempts="${DASHBOARD_PUSH_ATTEMPTS:-3}"
+delay_seconds="${DASHBOARD_PUSH_DELAY_SECONDS:-15}"
+
+workspace_dir="$(mktemp -d)"
+repo_dir="${workspace_dir}/dashboard"
+remote_url="https://x-access-token:${token}@github.com/${remote_repository}.git"
+
+cleanup() {
+  rm -rf "${workspace_dir}"
+}
+
+prepare_worktree() {
+  if [[ ! -d "${repo_dir}/.git" ]]; then
+    git clone --branch "${publish_branch}" --depth 1 "${remote_url}" "${repo_dir}"
+  else
+    git -C "${repo_dir}" fetch origin "${publish_branch}"
+    git -C "${repo_dir}" checkout "${publish_branch}"
+    git -C "${repo_dir}" reset --hard "origin/${publish_branch}"
+    git -C "${repo_dir}" clean -fd
+  fi
+
+  git -C "${repo_dir}" config user.name "${git_user_name}"
+  git -C "${repo_dir}" config user.email "${git_user_email}"
+}
+
+sync_publish_dir() {
+  cp -R "${source_dir}/." "${repo_dir}/"
+  git -C "${repo_dir}" add .
+
+  if git -C "${repo_dir}" diff --cached --quiet; then
+    return 1
+  fi
+
+  git -C "${repo_dir}" commit -m "${commit_message}"
+}
+
+trap cleanup EXIT
+
+prepare_worktree
+
+if ! sync_publish_dir; then
+  echo "No dashboard changes to publish."
+  exit 0
+fi
+
+for ((attempt = 1; attempt <= max_attempts; attempt += 1)); do
+  if git -C "${repo_dir}" push origin "HEAD:${publish_branch}"; then
+    echo "Dashboard published on attempt ${attempt}."
+    exit 0
+  fi
+
+  if ((attempt == max_attempts)); then
+    echo "Dashboard publish failed after ${max_attempts} attempts." >&2
+    exit 1
+  fi
+
+  echo "Dashboard push attempt ${attempt} failed. Retrying in ${delay_seconds}s." >&2
+  sleep "${delay_seconds}"
+
+  prepare_worktree
+
+  if ! sync_publish_dir; then
+    echo "Dashboard changes already exist in the target repository."
+    exit 0
+  fi
+done

{easydiffraction-0.14.0 → easydiffraction-0.16.0}/.github/workflows/backmerge.yml

@@ -20,11 +20,6 @@ concurrency:
   group: backmerge-master-into-develop
   cancel-in-progress: false
 
-# Opt into Node.js 24 for all JavaScript actions.
-# Remove once all referenced actions natively target Node 24.
-env:
-  FORCE_JAVASCRIPT_ACTIONS_TO_NODE24: true
-
 jobs:
   backmerge:
     runs-on: ubuntu-latest
@@ -32,7 +27,7 @@ jobs:
 
     steps:
       - name: Checkout repository (for local actions)
-        uses: actions/checkout@v5
+        uses: actions/checkout@v6
 
       - name: Setup easyscience[bot]
         id: bot
@@ -43,7 +38,7 @@ jobs:
           repositories: ${{ github.event.repository.name }}
 
       - name: Checkout repository (with bot token)
-        uses: actions/checkout@v5
+        uses: actions/checkout@v6
         with:
           fetch-depth: 0
           token: ${{ steps.bot.outputs.token }}

{easydiffraction-0.14.0 → easydiffraction-0.16.0}/.github/workflows/cleanup.yml

@@ -15,11 +15,11 @@ on:
       days:
         description: 'Number of days.'
         required: true
-        default: 30
+        default: '30'
       minimum_runs:
         description: 'The minimum runs to keep for each workflow.'
         required: true
-        default: 6
+        default: '6'
       delete_workflow_pattern:
         description:
           'The name or filename of the workflow. if not set then it will target all
@@ -61,11 +61,6 @@ on:
           - 'false'
           - 'true'
 
-# Opt into Node.js 24 for all JavaScript actions.
-# Remove once all referenced actions natively target Node 24.
-env:
-  FORCE_JAVASCRIPT_ACTIONS_TO_NODE24: true
-
 jobs:
   del-runs:
     runs-on: ubuntu-latest

{easydiffraction-0.14.0 → easydiffraction-0.16.0}/.github/workflows/coverage.yml

@@ -26,9 +26,6 @@ concurrency:
 # Set the environment variables to be used in all jobs defined in this workflow
 env:
   CI_BRANCH: ${{ github.head_ref || github.ref_name }}
-  # Opt into Node.js 24 for all JavaScript actions.
-  # Remove once all referenced actions natively target Node 24.
-  FORCE_JAVASCRIPT_ACTIONS_TO_NODE24: true
 
 jobs:
   # Job 1: Run docstring coverage
@@ -37,7 +34,7 @@ jobs:
 
     steps:
       - name: Check-out repository
-        uses: actions/checkout@v5
+        uses: actions/checkout@v6
 
       - name: Set up pixi
         uses: ./.github/actions/setup-pixi
@@ -51,7 +48,7 @@ jobs:
 
     steps:
       - name: Check-out repository
-        uses: actions/checkout@v5
+        uses: actions/checkout@v6
 
       - name: Set up pixi
         uses: ./.github/actions/setup-pixi
@@ -74,7 +71,7 @@ jobs:
 
     steps:
       - name: Check-out repository
-        uses: actions/checkout@v5
+        uses: actions/checkout@v6
 
       - name: Set up pixi
         uses: ./.github/actions/setup-pixi

{easydiffraction-0.14.0 → easydiffraction-0.16.0}/.github/workflows/dashboard.yml

@@ -7,6 +7,10 @@ on:
 permissions:
   contents: read
 
+concurrency:
+  group: dashboard-publish-${{ github.repository }}
+  cancel-in-progress: false
+
 # Set the environment variables to be used in all jobs defined in this workflow
 env:
   CI_BRANCH: ${{ github.head_ref || github.ref_name }}
@@ -14,9 +18,6 @@ env:
   DEVELOP_BRANCH: develop
   REPO_OWNER: ${{ github.repository_owner }}
   REPO_NAME: ${{ github.event.repository.name }}
-  # Opt into Node.js 24 for all JavaScript actions.
-  # Remove once all referenced actions natively target Node 24.
-  FORCE_JAVASCRIPT_ACTIONS_TO_NODE24: true
 
 jobs:
   dashboard:
@@ -24,7 +25,7 @@ jobs:
 
     steps:
       - name: Checkout repository
-        uses: actions/checkout@v5
+        uses: actions/checkout@v6
         with:
           fetch-depth: 0
 
@@ -84,22 +85,25 @@ jobs:
             ${{ github.event.repository.name }}
             dashboard
 
-      # Publish to external dashboard repository with retry logic.
+      # Push to external dashboard repository with retry logic.
       # Retry is needed to handle transient GitHub API/authentication issues
       # that occasionally cause 403 errors when multiple workflows push concurrently.
       # Uses personal_token (not github_token) as GITHUB_TOKEN cannot access external repos.
-      - name: Publish to main branch of ${{ github.repository }}
-        uses: Wandalen/wretry.action@v3.8.0
-        with:
-          attempt_limit: 3
-          attempt_delay: 15000 # 15 seconds between retries
-          action: peaceiris/actions-gh-pages@v4
-          with: |
-            publish_dir: ./_dashboard_publish
-            keep_files: true
-            external_repository: ${{ env.REPO_OWNER }}/dashboard
-            publish_branch: master
-            personal_token: ${{ steps.bot.outputs.token }}
+      - name:
+          Push to ${{ env.REPO_OWNER }}/dashboard/${{ env.REPO_NAME }}/${{ env.CI_BRANCH
+          }}
+        shell: bash
+        env:
+          DASHBOARD_COMMIT_MESSAGE: ${{ env.CI_BRANCH }}
+          DASHBOARD_GIT_USER_EMAIL:
+            ${{ vars.EASYSCIENCE_APP_ID }}+easyscience[bot]@users.noreply.github.com
+          DASHBOARD_PUSH_ATTEMPTS: '3'
+          DASHBOARD_PUSH_DELAY_SECONDS: '15'
+          DASHBOARD_PUBLISH_BRANCH: master
+          DASHBOARD_REMOTE_REPOSITORY: ${{ env.REPO_OWNER }}/dashboard
+          DASHBOARD_SOURCE_DIR: ./_dashboard_publish
+          DASHBOARD_TOKEN: ${{ steps.bot.outputs.token }}
+        run: bash ./.github/scripts/publish-dashboard.sh
 
       - name: Add dashboard link to summary
         run: |

{easydiffraction-0.14.0 → easydiffraction-0.16.0}/.github/workflows/docs.yml

@@ -48,9 +48,6 @@ env:
   IS_RELEASE_TAG: ${{ startsWith(github.ref, 'refs/tags/v') }}
   GITHUB_REPOSITORY: ${{ github.repository }}
   NOTEBOOKS_DIR: tutorials
-  # Opt into Node.js 24 for all JavaScript actions.
-  # Remove once all referenced actions natively target Node 24.
-  FORCE_JAVASCRIPT_ACTIONS_TO_NODE24: true
 
 jobs:
   # Single job that builds and deploys documentation.
@@ -86,7 +83,7 @@ jobs:
       # Check out the repository source code.
       # Note: The gh-pages branch is fetched separately later for mike deployment.
       - name: Checkout repository
-        uses: actions/checkout@v5
+        uses: actions/checkout@v6
 
       # Activate dark mode to create documentation with Plotly charts in dark mode
       # Need a better solution to automatically switch the chart colour theme based on the mkdocs material switcher

{easydiffraction-0.14.0 → easydiffraction-0.16.0}/.github/workflows/issues-labels.yml

@@ -11,11 +11,6 @@ on:
 permissions:
   issues: write
 
-# Opt into Node.js 24 for all JavaScript actions.
-# Remove once all referenced actions natively target Node 24.
-env:
-  FORCE_JAVASCRIPT_ACTIONS_TO_NODE24: true
-
 jobs:
   check-labels:
     if: github.actor != 'easyscience[bot]'
@@ -28,7 +23,7 @@ jobs:
 
     steps:
       - name: Checkout repository
-        uses: actions/checkout@v5
+        uses: actions/checkout@v6
 
       - name: Setup easyscience[bot]
         id: bot

{easydiffraction-0.14.0 → easydiffraction-0.16.0}/.github/workflows/lint-format.yml

@@ -34,9 +34,6 @@ permissions:
 # Set the environment variables to be used in all jobs defined in this workflow
 env:
   CI_BRANCH: ${{ github.head_ref || github.ref_name }}
-  # Opt into Node.js 24 for all JavaScript actions.
-  # Remove once all referenced actions natively target Node 24.
-  FORCE_JAVASCRIPT_ACTIONS_TO_NODE24: true
 
 jobs:
   lint-format:
@@ -44,7 +41,7 @@ jobs:
 
     steps:
       - name: Checkout repository
-        uses: actions/checkout@v5
+        uses: actions/checkout@v6
 
       - name: Set up pixi
         uses: ./.github/actions/setup-pixi

{easydiffraction-0.14.0 → easydiffraction-0.16.0}/.github/workflows/pypi-publish.yml

@@ -10,11 +10,6 @@ on:
   # Allows you to run this workflow manually from the Actions tab
   workflow_dispatch:
 
-# Opt into Node.js 24 for all JavaScript actions.
-# Remove once all referenced actions natively target Node 24.
-env:
-  FORCE_JAVASCRIPT_ACTIONS_TO_NODE24: true
-
 jobs:
   pypi-publish:
     runs-on: ubuntu-latest
@@ -25,7 +20,7 @@ jobs:
 
     steps:
       - name: Check-out repository
-        uses: actions/checkout@v5
+        uses: actions/checkout@v6
         with:
           fetch-depth: 0 # full history with tags to get the version number by versioningit
 

{easydiffraction-0.14.0 → easydiffraction-0.16.0}/.github/workflows/pypi-test.yml

@@ -20,9 +20,6 @@ permissions:
 env:
   CI_BRANCH: ${{ github.head_ref || github.ref_name }}
   DEFAULT_BRANCH: ${{ github.event.repository.default_branch }}
-  # Opt into Node.js 24 for all JavaScript actions.
-  # Remove once all referenced actions natively target Node 24.
-  FORCE_JAVASCRIPT_ACTIONS_TO_NODE24: true
 
 jobs:
   # Job 1: Test installation from PyPI on multiple OS
@@ -35,7 +32,7 @@ jobs:
 
     steps:
       - name: Checkout repository
-        uses: actions/checkout@v5
+        uses: actions/checkout@v6
 
       - name: Set up pixi
         uses: ./.github/actions/setup-pixi
@@ -50,7 +47,9 @@ jobs:
 
       - name: Set the minimum system requirements
         working-directory: easydiffraction
-        run: pixi project system-requirements add macos 14.0
+        run: |
+          pixi project system-requirements add macos 14.0
+          pixi project system-requirements add glibc 2.35
 
       - name: Add Python 3.14 from Conda
         working-directory: easydiffraction
@@ -62,12 +61,12 @@ jobs:
           pixi add gsl
           pixi add --platform osx-arm64 libcxx
 
-      - name: Add pycrysfml calculator from custom PyPI index
-        working-directory: easydiffraction
-        run: |
-          echo '' >> pixi.toml
-          echo '[pypi-dependencies]' >> pixi.toml
-          echo 'pycrysfml = { version = ">=0.2.1", index = "https://easyscience.github.io/pypi/" }' >> pixi.toml
+      #- name: Add pycrysfml calculator from custom PyPI index
+      #  working-directory: easydiffraction
+      #  run: |
+      #    echo '' >> pixi.toml
+      #    echo '[pypi-dependencies]' >> pixi.toml
+      #    echo 'pycrysfml = { version = ">=0.2.1", index = "https://easyscience.github.io/pypi/" }' >> pixi.toml
 
       - name: Add easydiffraction (with dev dependencies) from PyPI
         working-directory: easydiffraction