Gui experiment

.copier-answers.yml

@@ -1,13 +1,13 @@
 # Changes here will be overwritten by Copier; NEVER EDIT MANUALLY
-_commit: a052529
+_commit: d704227
 _src_path: gh:scipp/copier_template
 description: Reflectometry data reduction for the European Spallation Source
-max_python: '3.12'
+max_python: '3.13'
 min_python: '3.10'
 namespace_package: ess
 nightly_deps: plopp,sciline,scippneutron,scippnexus,scipp
 orgname: scipp
 prettyname: ESSreflectometry
 projectname: essreflectometry
 related_projects: Scipp,ScippNexus,ScippNeutron,Sciline,Plopp
-year: 2024
+year: 2025

.github/workflows/ci.yml

@@ -10,7 +10,7 @@ on:
 jobs:
   formatting:
     name: Formatting and static analysis
-    runs-on: 'ubuntu-22.04'
+    runs-on: 'ubuntu-24.04'
     outputs:
       min_python: ${{ steps.vars.outputs.min_python }}
       min_tox_env: ${{ steps.vars.outputs.min_tox_env }}
@@ -19,15 +19,15 @@ jobs:
       - name: Get Python version for other CI jobs
         id: vars
         run: |
-          echo "min_python=$(cat .github/workflows/python-version-ci)" >> $GITHUB_OUTPUT
-          echo "min_tox_env=py$(cat .github/workflows/python-version-ci | sed 's/\.//g')" >> $GITHUB_OUTPUT
+          echo "min_python=$(< .github/workflows/python-version-ci)" >> "$GITHUB_OUTPUT"
+          echo "min_tox_env=py$(sed 's/\.//g' < .github/workflows/python-version-ci)" >> "$GITHUB_OUTPUT"
       - uses: actions/setup-python@v5
         with:
           python-version-file: '.github/workflows/python-version-ci'
       - uses: pre-commit/[email protected]
         with:
           extra_args: --all-files
-      - uses: pre-commit-ci/lite-action@v1.0.3
+      - uses: pre-commit-ci/lite-action@v1.1.0
         if: always()
         with:
           msg: Apply automatic formatting
@@ -37,7 +37,7 @@ jobs:
     needs: formatting
     strategy:
       matrix:
-        os: ['ubuntu-22.04']
+        os: ['ubuntu-24.04']
         python:
           - version: '${{needs.formatting.outputs.min_python}}'
             tox-env: '${{needs.formatting.outputs.min_tox_env}}'
@@ -53,6 +53,6 @@ jobs:
     uses: ./.github/workflows/docs.yml
     with:
       publish: false
-      linkcheck: ${{ contains(matrix.variant.os, 'ubuntu') && github.ref == 'refs/heads/main' }}
+      linkcheck: ${{ github.ref == 'refs/heads/main' }}
       branch: ${{ github.head_ref == '' && github.ref_name || github.head_ref }}
     secrets: inherit

.github/workflows/docs.yml

@@ -41,7 +41,7 @@ env:
 jobs:
   docs:
     name: Build documentation
-    runs-on: 'ubuntu-22.04'
+    runs-on: 'ubuntu-24.04'
     env:
         ESS_PROTECTED_FILESTORE_USERNAME: ${{ secrets.ESS_PROTECTED_FILESTORE_USERNAME }}
         ESS_PROTECTED_FILESTORE_PASSWORD: ${{ secrets.ESS_PROTECTED_FILESTORE_PASSWORD }}
@@ -58,18 +58,20 @@ jobs:
           python-version-file: '.github/workflows/python-version-ci'
       - run: python -m pip install --upgrade pip
       - run: python -m pip install -r requirements/ci.txt
-      - run: tox -e releasedocs -- ${VERSION}
+      - run: tox -e releasedocs -- "${VERSION}"
         if: ${{ inputs.version != '' }}
       - run: tox -e docs
         if: ${{ inputs.version == '' }}
       - run: tox -e linkcheck
         if: ${{ inputs.linkcheck }}
       - uses: actions/upload-artifact@v4
+        id: artifact-upload-step
         with:
           name: docs_html
           path: html/
+      - run: echo "::notice::https://remote-unzip.deno.dev/${{ github.repository }}/artifacts/${{ steps.artifact-upload-step.outputs.artifact-id }}"
 
-      - uses: JamesIves/github-pages-deploy-action@v4.6.4
+      - uses: JamesIves/github-pages-deploy-action@v4.7.2
         if: ${{ inputs.publish }}
         with:
           branch: gh-pages

.github/workflows/nightly_at_main.yml

@@ -8,21 +8,21 @@ on:
 jobs:
   setup:
     name: Setup variables
-    runs-on: 'ubuntu-22.04'
+    runs-on: 'ubuntu-24.04'
     outputs:
       min_python: ${{ steps.vars.outputs.min_python }}
     steps:
       - uses: actions/checkout@v4
       - name: Get Python version for other CI jobs
         id: vars
-        run: echo "min_python=$(cat .github/workflows/python-version-ci)" >> $GITHUB_OUTPUT
+        run: echo "min_python=$(< .github/workflows/python-version-ci)" >> "$GITHUB_OUTPUT"
 
   tests:
     name: Tests
     needs: setup
     strategy:
       matrix:
-        os: ['ubuntu-22.04']
+        os: ['ubuntu-24.04']
         python:
           - version: '${{needs.setup.outputs.min_python}}'
             tox-env: 'nightly'

.github/workflows/nightly_at_release.yml

@@ -8,7 +8,7 @@ on:
 jobs:
   setup:
     name: Setup variables
-    runs-on: 'ubuntu-22.04'
+    runs-on: 'ubuntu-24.04'
     outputs:
       min_python: ${{ steps.vars.outputs.min_python }}
       release_tag: ${{ steps.release.outputs.release_tag }}
@@ -18,17 +18,17 @@ jobs:
           fetch-depth: 0  # history required so we can determine latest release tag
       - name: Get last release tag from git
         id: release
-        run: echo "release_tag=$(git describe --tags --abbrev=0 --match '[0-9]*.[0-9]*.[0-9]*')" >> $GITHUB_OUTPUT
+        run: echo "release_tag=$(git describe --tags --abbrev=0 --match '[0-9]*.[0-9]*.[0-9]*')" >> "$GITHUB_OUTPUT"
       - name: Get Python version for other CI jobs
         id: vars
-        run: echo "min_python=$(cat .github/workflows/python-version-ci)" >> $GITHUB_OUTPUT
+        run: echo "min_python=$(cat .github/workflows/python-version-ci)" >> "$GITHUB_OUTPUT"
 
   tests:
     name: Tests
     needs: setup
     strategy:
       matrix:
-        os: ['ubuntu-22.04']
+        os: ['ubuntu-24.04']
         python:
           - version: '${{needs.setup.outputs.min_python}}'
             tox-env: 'nightly'

.github/workflows/release.yml

@@ -12,7 +12,7 @@ defaults:
 jobs:
   build_conda:
     name: Conda build
-    runs-on: 'ubuntu-22.04'
+    runs-on: 'ubuntu-24.04'
 
     steps:
       - uses: actions/checkout@v4
@@ -35,7 +35,7 @@ jobs:
 
   build_wheels:
     name: Wheels
-    runs-on: 'ubuntu-22.04'
+    runs-on: 'ubuntu-24.04'
 
     steps:
       - uses: actions/checkout@v4
@@ -61,7 +61,7 @@ jobs:
   upload_pypi:
     name: Deploy PyPI
     needs: [build_wheels, build_conda]
-    runs-on: 'ubuntu-22.04'
+    runs-on: 'ubuntu-24.04'
     environment: release
     permissions:
       id-token: write
@@ -73,7 +73,7 @@ jobs:
   upload_conda:
     name: Deploy Conda
     needs: [build_wheels, build_conda]
-    runs-on: 'ubuntu-22.04'
+    runs-on: 'ubuntu-24.04'
     if: github.event_name == 'release' && github.event.action == 'published'
 
     steps:
@@ -97,7 +97,7 @@ jobs:
   assets:
     name: Upload docs
     needs: docs
-    runs-on: 'ubuntu-22.04'
+    runs-on: 'ubuntu-24.04'
     permissions:
       contents: write  # This is needed so that the action can upload the asset
     steps:

.github/workflows/test.yml

@@ -4,7 +4,7 @@ on:
   workflow_dispatch:
     inputs:
       os-variant:
-        default: 'ubuntu-22.04'
+        default: 'ubuntu-24.04'
         type: string
       python-version:
         type: string
@@ -23,7 +23,7 @@ on:
   workflow_call:
     inputs:
       os-variant:
-        default: 'ubuntu-22.04'
+        default: 'ubuntu-24.04'
         type: string
       python-version:
         type: string

.github/workflows/unpinned.yml

@@ -8,7 +8,7 @@ on:
 jobs:
   setup:
     name: Setup variables
-    runs-on: 'ubuntu-22.04'
+    runs-on: 'ubuntu-24.04'
     outputs:
       min_python: ${{ steps.vars.outputs.min_python }}
       release_tag: ${{ steps.release.outputs.release_tag }}
@@ -18,17 +18,17 @@ jobs:
           fetch-depth: 0  # history required so we can determine latest release tag
       - name: Get last release tag from git
         id: release
-        run: echo "release_tag=$(git describe --tags --abbrev=0 --match '[0-9]*.[0-9]*.[0-9]*')" >> $GITHUB_OUTPUT
+        run: echo "release_tag=$(git describe --tags --abbrev=0 --match '[0-9]*.[0-9]*.[0-9]*')" >> "$GITHUB_OUTPUT"
       - name: Get Python version for other CI jobs
         id: vars
-        run: echo "min_python=$(cat .github/workflows/python-version-ci)" >> $GITHUB_OUTPUT
+        run: echo "min_python=$(cat .github/workflows/python-version-ci)" >> "$GITHUB_OUTPUT"
 
   tests:
     name: Tests
     needs: setup
     strategy:
       matrix:
-        os: ['ubuntu-22.04']
+        os: ['ubuntu-24.04']
         python:
           - version: '${{needs.setup.outputs.min_python}}'
             tox-env: 'unpinned'

.github/workflows/weekly_windows_macos.yml

@@ -0,0 +1,42 @@
+name: Windows and MacOS weekly tests
+
+on:
+  workflow_dispatch:
+  schedule:
+    - cron: '0 2 * * 1'
+
+jobs:
+  pytox:
+    name: Python and Tox env
+    runs-on: 'ubuntu-24.04'
+    outputs:
+      min_python: ${{ steps.vars.outputs.min_python }}
+      min_tox_env: ${{ steps.vars.outputs.min_tox_env }}
+    steps:
+      - uses: actions/checkout@v4
+      - name: Get Python version for other CI jobs
+        id: vars
+        run: |
+          echo "min_python=$(cat .github/workflows/python-version-ci)" >> $GITHUB_OUTPUT
+          echo "min_tox_env=py$(cat .github/workflows/python-version-ci | sed 's/\.//g')" >> $GITHUB_OUTPUT
+  tests:
+    name: Tests
+    needs: pytox
+    strategy:
+      matrix:
+        os: ['macos-latest', 'windows-latest']
+        python:
+          - version: '${{needs.pytox.outputs.min_python}}'
+            tox-env: '${{needs.pytox.outputs.min_tox_env}}'
+    uses: ./.github/workflows/test.yml
+    with:
+      os-variant: ${{ matrix.os }}
+      python-version: ${{ matrix.python.version }}
+      tox-env: ${{ matrix.python.tox-env }}
+
+  docs:
+    needs: tests
+    uses: ./.github/workflows/docs.yml
+    with:
+      publish: false
+      branch: ${{ github.head_ref == '' && github.ref_name || github.head_ref }}

.gitignore

@@ -4,7 +4,8 @@ dist
 html
 .tox
 *.egg-info
-uv.lock  # we lock dependencies with pip-compile, not uv
+# we lock dependencies with pip-compile, not uv
+uv.lock
 
 *.sw?
 
@@ -42,3 +43,5 @@ docs/generated/
 *.rcif
 *.ort
 *.zip
+*.sqw
+*.nxspe

.pre-commit-config.yaml

@@ -1,8 +1,10 @@
 repos:
   - repo: https://github.com/pre-commit/pre-commit-hooks
-    rev: v4.6.0
+    rev: v5.0.0
     hooks:
       - id: check-added-large-files
+      - id: check-case-conflict
+      - id: check-illegal-windows-names
       - id: check-json
         exclude: asv.conf.json
       - id: check-merge-conflict
@@ -21,7 +23,7 @@ repos:
         args: [ "--drop-empty-cells",
                 "--extra-keys 'metadata.language_info.version cell.metadata.jp-MarkdownHeadingCollapsed cell.metadata.pycharm'" ]
   - repo: https://github.com/astral-sh/ruff-pre-commit
-    rev: v0.6.2
+    rev: v0.8.0
     hooks:
       - id: ruff
         args: [ --fix ]
@@ -44,3 +46,9 @@ repos:
       - id: rst-directive-colons
       - id: rst-inline-touching-normal
       - id: text-unicode-replacement-char
+  - repo: https://github.com/rhysd/actionlint
+    rev: v1.7.3
+    hooks:
+      - id: actionlint
+        # Disable because of false-positive SC2046
+        args: ["-shellcheck="]

LICENSE

@@ -1,6 +1,6 @@
 BSD 3-Clause License
 
-Copyright (c) 2024, Scipp contributors (https://github.com/scipp)
+Copyright (c) 2025, Scipp contributors (https://github.com/scipp)
 All rights reserved.
 
 Redistribution and use in source and binary forms, with or without

docs/conf.py

@@ -1,5 +1,5 @@
 # SPDX-License-Identifier: BSD-3-Clause
-# Copyright (c) 2024 Scipp contributors (https://github.com/scipp)
+# Copyright (c) 2025 Scipp contributors (https://github.com/scipp)
 
 import doctest
 import os
@@ -15,7 +15,7 @@
 
 # General information about the project.
 project = 'ESSreflectometry'
-copyright = '2024 Scipp contributors'
+copyright = '2025 Scipp contributors'
 author = 'Scipp contributors'
 
 html_show_sourcelink = True
@@ -265,3 +265,9 @@ def do_not_plot(*args, **kwargs):
     # Specific lines in Github blobs cannot be found by linkcheck.
     r'https?://github\.com/.*?/blob/[a-f0-9]+/.+?#',
 ]
+
+# -- Options for Matplotlib in notebooks ----------------------------------
+
+nbsphinx_execute_arguments = [
+    "--Session.metadata=scipp_sphinx_build=True",
+]