Merge pull request #153 from easyscience/develop

Release: merge develop into master

Author: AndrewSazonov

.copier-answers.yml

@@ -1,6 +1,6 @@
 # WARNING: Do not edit this file manually.
 # Any changes will be overwritten by Copier.
-_commit: v0.10.1-40-g29e2ccf
+_commit: v0.10.1-41-g508666e
 _src_path: gh:easyscience/templates
 app_docs_url: https://easyscience.github.io/diffraction-app
 app_doi: 10.5281/zenodo.18163581

.github/copilot-instructions.md

@@ -44,6 +44,10 @@
 - Type-annotate all public function signatures.
 - Docstrings on all public classes and methods (numpy style). These must
   include sections Parameters, Returns and Raises, where applicable.
+- Docstring summary must be a single line no longer than 72 characters
+  (the `max-doc-length` setting in `pyproject.toml`). If the summary
+  does not fit, shorten the wording rather than wrapping to a second
+  line.
 - Prefer flat over nested, explicit over clever.
 - Write straightforward code; do not add defensive checks for unlikely
   edge cases.
@@ -173,16 +177,28 @@
 
 ## Workflow
 
+- Use a two-phase workflow for all non-trivial changes:
+  - **Phase 1 — Implementation:** implement the change (source code,
+    docs, architecture updates). Do not create new tests or run existing
+    tests. Present the implementation for review and iterate until
+    approved.
+  - **Phase 2 — Verification:** once the implementation is approved, add
+    or update tests, then run linting (`pixi run fix`, `pixi run check`)
+    and all test suites (`pixi run unit-tests`,
+    `pixi run integration-tests`, `pixi run script-tests`).
 - All open issues, design questions, and planned improvements are
   tracked in `docs/architecture/issues_open.md`, ordered by priority.
   When an issue is fully implemented, move it from that file to
   `docs/architecture/issues_closed.md`. When the resolution affects the
   architecture, update the relevant sections of
   `docs/architecture/architecture.md`.
 - After changes, run linting and formatting fixes with `pixi run fix`.
-  Do not check what was auto-fixed, just accept the fixes and move on.
-  Then, run linting and formatting checks with `pixi run check` and
-  address any remaining issues until the code is clean.
+  This also regenerates `docs/architecture/package-structure-full.md`
+  and `docs/architecture/package-structure-short.md` automatically — do
+  not edit those files by hand. Do not check what was auto-fixed, just
+  accept the fixes and move on. Then, run linting and formatting checks
+  with `pixi run check` and address any remaining issues until the code
+  is clean.
 - After changes, run unit tests with `pixi run unit-tests`.
 - After changes, run integration tests with
   `pixi run integration-tests`.

.github/workflows/pypi-test.yml

@@ -49,6 +49,7 @@ jobs:
         run: pixi init easydiffraction
 
       - name: Set the minimum system requirements
+        working-directory: easydiffraction
         run: pixi project system-requirements add macos 14.0
 
       - name: Add Python 3.14 from Conda

.github/workflows/test.yml

@@ -99,12 +99,27 @@ jobs:
             echo
             echo "🔹🔸🔹🔸🔹 Python: $py_ver 🔹🔸🔹🔸🔹"
 
-            env="py-$(echo $py_ver | tr -d .)-env" # Converts 3.11 -> py-311-env
+            env="py-$(echo $py_ver | tr -d .)-env" # Converts 3.XX -> py-3XX-env
 
             echo "Running tests in environment: $env"
             pixi run --environment $env unit-tests
           done
 
+      - name: Run functional tests
+        shell: bash
+        run: |
+          set -euo pipefail
+
+          for py_ver in $PY_VERSIONS; do
+            echo
+            echo "🔹🔸🔹🔸🔹 Python: $py_ver 🔹🔸🔹🔸🔹"
+
+            env="py-$(echo $py_ver | tr -d .)-env" # Converts 3.XX -> py-3XX-env
+
+            echo "Running tests in environment: $env"
+            pixi run --environment $env functional-tests
+          done
+
       - name: Run integration tests ${{ needs.env-prepare.outputs.pytest-marks }}
         shell: bash
         run: |
@@ -114,7 +129,7 @@ jobs:
             echo
             echo "🔹🔸🔹🔸🔹 Python: $py_ver 🔹🔸🔹🔸🔹"
 
-            env="py-$(echo $py_ver | tr -d .)-env" # Converts 3.11 -> py-311-env
+            env="py-$(echo $py_ver | tr -d .)-env" # Converts 3.XX -> py-3XX-env
 
             echo "Running tests in environment: $env"
             pixi run --environment $env integration-tests ${{ needs.env-prepare.outputs.pytest-marks }}
@@ -263,6 +278,25 @@ jobs:
             cd ..
           done
 
+      - name: Run functional tests
+        shell: bash
+        run: |
+          set -euo pipefail
+
+          for py_ver in $PY_VERSIONS; do
+            echo
+            echo "🔹🔸🔹🔸🔹 Python: $py_ver 🔹🔸🔹🔸🔹"
+
+            echo "Entering pixi project directory easydiffraction_py$py_ver"
+            cd easydiffraction_py$py_ver
+
+            echo "Running tests"
+            pixi run python -m pytest ../tests/functional/ --color=yes -v
+
+            echo "Exiting pixi project directory"
+            cd ..
+          done
+
       - name: Run integration tests ${{ needs.env-prepare.outputs.pytest-marks }}
         shell: bash
         run: |

.gitignore

@@ -49,3 +49,4 @@ CMakeLists.txt.user*
 # Used to fetch tutorials data during their runtime. Need to have '/' at
 # the beginning to avoid ignoring 'data' module in the src/.
 /data/
+/tmp/