Copier update

.copier-answers.ess.yml

@@ -1,3 +1,3 @@
 # Changes here will be overwritten by Copier; NEVER EDIT MANUALLY
-_commit: 847e5e4
+_commit: 0951a4b
 _src_path: https://github.com/scipp/ess_template

.copier-answers.yml

@@ -1,5 +1,5 @@
 # Changes here will be overwritten by Copier; NEVER EDIT MANUALLY
-_commit: afbe5c7
+_commit: 6848c57
 _src_path: gh:scipp/copier_template
 description: Diffraction data reduction for the European Spallation Source
 max_python: '3.12'

.github/ISSUE_TEMPLATE/blank.md

@@ -1,6 +1,6 @@
 ---
-name: blank
-about: A blank issue template
+name: Blank
+about: General issue that does not fit another category
 title: ''
 labels: ''
 assignees: ''

.github/workflows/docs.yml

@@ -65,7 +65,7 @@ jobs:
           name: docs_html
           path: html/
 
-      - uses: JamesIves/github-pages-deploy-action@v4.6.0
+      - uses: JamesIves/github-pages-deploy-action@v4.6.1
         if: ${{ inputs.publish }}
         with:
           branch: gh-pages

.pre-commit-config.yaml

@@ -21,7 +21,7 @@ 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: v0.4.1
+    rev: v0.4.3
     hooks:
       - id: ruff
         args: [ --fix ]

conda/meta.yaml

@@ -18,8 +18,9 @@ requirements:
   run:
     - python>=3.10
 
+  {# Conda does not allow spaces between package name and version, so remove them #}
   {% for package in dependencies %}
-    - {% if package == "graphviz" %}python-graphviz{% else %}{{ package }}{% endif %}
+    - {% if package == "graphviz" %}python-graphviz{% else %}{{ package|replace(" ", "") }}{% endif %}
   {% endfor %}
 
 

docs/_templates/doc_version.html

@@ -1,2 +1,2 @@
 <!-- This will display the version of the docs -->
-Current {{ project }} version: {{ version }} (<a href="https://github.com/{{orgname}}/{{ project|lower }}/releases">older versions</a>).
+Current ESSdiffraction version: {{ version }} (<a href="https://github.com/scipp/essdiffraction/releases">older versions</a>).

docs/conf.py

@@ -1,12 +1,15 @@
-# -*- coding: utf-8 -*-
-
 import doctest
 import os
 import sys
+from importlib.metadata import PackageNotFoundError
 from importlib.metadata import version as get_version
 
+from sphinx.util import logging
+
 sys.path.insert(0, os.path.abspath("."))
 
+logger = logging.getLogger(__name__)
+
 # General information about the project.
 project = "ESSdiffraction"
 copyright = "2024 Scipp contributors"
@@ -35,6 +38,8 @@
     import sciline.sphinxext.domain_types  # noqa: F401
 
     extensions.append("sciline.sphinxext.domain_types")
+    # See https://github.com/tox-dev/sphinx-autodoc-typehints/issues/457
+    suppress_warnings = ["config.cache"]
 except ModuleNotFoundError:
     pass
 
@@ -111,9 +116,15 @@
 # |version| and |release|, also used in various other places throughout the
 # built documents.
 #
-
-release = get_version("essdiffraction")
-version = ".".join(release.split(".")[:3])  # CalVer
+try:
+    release = get_version("essdiffraction")
+    version = ".".join(release.split('.')[:3])  # CalVer
+except PackageNotFoundError:
+    logger.info(
+        "Warning: determining version from package metadata failed, falling back to "
+        "a dummy version number."
+    )
+    release = version = "0.0.0-dev"
 
 warning_is_error = True
 

pyproject.toml

@@ -77,7 +77,7 @@ extend-exclude = [
 
 [tool.ruff.lint]
 # See https://docs.astral.sh/ruff/rules/
-select = ["B", "C4", "DTZ", "E", "F", "G", "I", "PERF", "PGH", "PT", "PYI", "RUF", "S", "T20", "W"]
+select = ["B", "C4", "DTZ", "E", "F", "G", "I", "PERF", "PGH", "PT", "PYI", "RUF", "S", "T20", "UP", "W"]
 ignore = [
     # Conflict with ruff format, see
     # https://docs.astral.sh/ruff/formatter/#conflicting-lint-rules

requirements/make_base.py

@@ -1,7 +1,6 @@
 import sys
 from argparse import ArgumentParser
 from pathlib import Path
-from typing import List
 
 import tomli
 
@@ -20,7 +19,7 @@
 """
 
 
-def write_dependencies(dependency_name: str, dependencies: List[str]) -> None:
+def write_dependencies(dependency_name: str, dependencies: list[str]) -> None:
     path = Path(f"{dependency_name}.in")
     if path.exists():
         sections = path.read_text().split(CUSTOM_AUTO_SEPARATOR)

src/ess/dream/instrument_view.py

@@ -3,7 +3,7 @@
 from __future__ import annotations
 
 from html import escape
-from typing import TYPE_CHECKING, Any, Optional, Union
+from typing import TYPE_CHECKING, Any
 
 import plopp as pp
 import scipp as sc
@@ -16,9 +16,9 @@
 
 
 def instrument_view(
-    data: Union[sc.DataArray, sc.DataGroup, dict],
-    dim: Optional[str] = None,
-    pixel_size: Optional[Union[float, sc.Variable]] = None,
+    data: sc.DataArray | sc.DataGroup | dict,
+    dim: str | None = None,
+    pixel_size: float | sc.Variable | None = None,
     **kwargs: Any,
 ) -> Box:
     """
@@ -48,7 +48,7 @@ def instrument_view(
     return Box(view.children)
 
 
-def _to_data_group(data: Union[sc.DataArray, sc.DataGroup, dict]) -> sc.DataGroup:
+def _to_data_group(data: sc.DataArray | sc.DataGroup | dict) -> sc.DataGroup:
     if isinstance(data, sc.DataArray):
         data = sc.DataGroup({data.name or "data": data})
     elif isinstance(data, dict):
@@ -71,9 +71,9 @@ class InstrumentView:
 
     def __init__(
         self,
-        data: Union[sc.DataArray, sc.DataGroup, dict],
-        dim: Optional[str] = None,
-        pixel_size: Optional[Union[float, sc.Variable]] = None,
+        data: sc.DataArray | sc.DataGroup | dict,
+        dim: str | None = None,
+        pixel_size: float | sc.Variable | None = None,
         **kwargs,
     ):
         from plopp.widgets import SliceWidget, slice_dims

src/ess/dream/io/geant4.py

@@ -1,8 +1,6 @@
 # SPDX-License-Identifier: BSD-3-Clause
 # Copyright (c) 2023 Scipp contributors (https://github.com/scipp)
 
-from typing import Dict, Optional
-
 import numpy as np
 import sciline
 import scipp as sc
@@ -96,7 +94,7 @@ def _adjust_coords(da: sc.DataArray) -> None:
     )
 
 
-def _group(detectors: Dict[str, sc.DataArray]) -> Dict[str, sc.DataGroup]:
+def _group(detectors: dict[str, sc.DataArray]) -> dict[str, sc.DataGroup]:
     elements = ("module", "segment", "counter", "wire", "strip")
 
     def group(key: str, da: sc.DataArray) -> sc.DataArray:
@@ -114,7 +112,7 @@ def group(key: str, da: sc.DataArray) -> sc.DataArray:
 
 def _split_detectors(
     data: sc.DataArray, detector_id_name: str = "det ID"
-) -> Dict[str, sc.DataArray]:
+) -> dict[str, sc.DataArray]:
     groups = data.group(
         sc.concat(
             [
@@ -162,7 +160,7 @@ def _split_detectors(
 
 def _extract_detector(
     detector_groups: sc.DataArray, detector_id_name: str, detector_id: sc.Variable
-) -> Optional[sc.DataArray]:
+) -> sc.DataArray | None:
     events = detector_groups[detector_id_name, detector_id].value
     if len(events) == 0:
         return None
@@ -191,10 +189,10 @@ def patch_detector_data(
 
 def geant4_detector_dimensions(
     data: RawDetectorData[SampleRun],
-) -> NeXusDetectorDimensions[NeXusDetectorName]:
+) -> NeXusDetectorDimensions:
     # For geant4 data, we group by detector identifier, so the data already has
     # logical dimensions, so we simply return the dimensions of the detector.
-    return NeXusDetectorDimensions[NeXusDetectorName](data.sizes)
+    return NeXusDetectorDimensions(data.sizes)
 
 
 def geant4_load_calibration(

src/ess/powder/correction.py

@@ -2,7 +2,7 @@
 # Copyright (c) 2023 Scipp contributors (https://github.com/scipp)
 """Correction algorithms for powder diffraction."""
 
-from typing import Any, Dict, Optional
+from typing import Any
 
 import scipp as sc
 from scippneutron.conversion.graph import beamline, tof
@@ -30,8 +30,8 @@ def normalize_by_monitor(
     data: sc.DataArray,
     *,
     monitor: sc.DataArray,
-    wavelength_edges: Optional[sc.Variable] = None,
-    smooth_args: Optional[Dict[str, Any]] = None,
+    wavelength_edges: sc.Variable | None = None,
+    smooth_args: dict[str, Any] | None = None,
 ) -> sc.DataArray:
     """
     Normalize event data by a monitor.

src/ess/powder/masking.py

@@ -4,7 +4,7 @@
 Masking functions for the powder workflow.
 """
 
-from typing import Iterable
+from collections.abc import Iterable
 
 import numpy as np
 import sciline

src/ess/powder/smoothing.py

@@ -4,8 +4,6 @@
 Smoothing arrays data.
 """
 
-from typing import Optional
-
 import scipp as sc
 from scipp.scipy.signal import butter
 
@@ -29,7 +27,7 @@ def _ensure_no_variances(var: sc.DataArray) -> sc.DataArray:
 
 
 def lowpass(
-    da: sc.DataArray, *, dim: str, N: int, Wn: sc.Variable, coord: Optional[str] = None
+    da: sc.DataArray, *, dim: str, N: int, Wn: sc.Variable, coord: str | None = None
 ) -> sc.DataArray:
     """
     Smooth data using a lowpass frequency filter.

src/ess/powder/types.py

@@ -7,8 +7,9 @@
 pipeline.
 """
 
+from collections.abc import Callable
 from enum import Enum
-from typing import Any, Callable, Dict, NewType, TypeVar
+from typing import Any, NewType, TypeVar
 
 import sciline
 import scipp as sc
@@ -89,10 +90,8 @@ class DataWithScatteringCoordinates(sciline.Scope[RunType, sc.DataArray], sc.Dat
     d-spacing."""
 
 
-class NeXusDetectorDimensions(
-    sciline.Scope[NeXusDetectorName, Dict[str, int]], Dict[str, int]
-):
-    """Logical detector dimensions."""
+NeXusDetectorDimensions = NewType("NeXusDetectorDimensions", dict[str, int])
+"""Logical detector dimensions."""
 
 
 class DspacingData(sciline.Scope[RunType, sc.DataArray], sc.DataArray):
@@ -139,7 +138,7 @@ class MaskedData(sciline.Scope[RunType, sc.DataArray], sc.DataArray):
     dspacing regions."""
 
 
-MaskedDetectorIDs = NewType("MaskedDetectorIDs", Dict[str, sc.Variable])
+MaskedDetectorIDs = NewType("MaskedDetectorIDs", dict[str, sc.Variable])
 """1-D variable listing all masked detector IDs."""
 
 

src/ess/snspowder/powgen/beamline.py

@@ -55,11 +55,9 @@ def map_detector_to_spectrum(
 
 def powgen_detector_dimensions(
     detector_name: NeXusDetectorName,
-) -> NeXusDetectorDimensions[NeXusDetectorName]:
+) -> NeXusDetectorDimensions:
     """Dimensions used by POWGEN detectors."""
-    return NeXusDetectorDimensions[NeXusDetectorName](
-        DETECTOR_BANK_SIZES[detector_name]
-    )
+    return NeXusDetectorDimensions(DETECTOR_BANK_SIZES[detector_name])
 
 
 providers = (powgen_detector_dimensions,)

src/ess/snspowder/powgen/calibration.py

@@ -9,7 +9,6 @@
 """
 
 from pathlib import Path
-from typing import Dict, Optional, Union
 
 import numpy as np
 import scipp as sc
@@ -28,11 +27,11 @@ def _as_boolean_mask(var: sc.Variable) -> sc.Variable:
 
 
 def _parse_calibration_instrument_args(
-    filename: Union[str, Path],
+    filename: str | Path,
     *,
-    instrument_filename: Optional[str] = None,
-    instrument_name: Optional[str] = None,
-) -> Dict[str, str]:
+    instrument_filename: str | None = None,
+    instrument_name: str | None = None,
+) -> dict[str, str]:
     if instrument_filename is not None:
         if instrument_name is not None:
             raise ValueError(
@@ -57,11 +56,11 @@ def _parse_calibration_instrument_args(
 
 
 def load_calibration(
-    filename: Union[str, Path],
+    filename: str | Path,
     *,
-    instrument_filename: Optional[str] = None,
-    instrument_name: Optional[str] = None,
-    mantid_args: Optional[dict] = None,
+    instrument_filename: str | None = None,
+    instrument_name: str | None = None,
+    mantid_args: dict | None = None,
 ) -> sc.Dataset:
     """
     Load and return calibration data.

src/ess/snspowder/powgen/data.py

@@ -11,7 +11,6 @@
     CalibrationFilename,
     Filename,
     NeXusDetectorDimensions,
-    NeXusDetectorName,
     ProtonCharge,
     RawDataAndMetadata,
     ReducibleDetectorData,
@@ -104,7 +103,7 @@ def pooch_load(filename: Filename[RunType]) -> RawDataAndMetadata[RunType]:
 
 def pooch_load_calibration(
     filename: CalibrationFilename,
-    detector_dimensions: NeXusDetectorDimensions[NeXusDetectorName],
+    detector_dimensions: NeXusDetectorDimensions,
 ) -> CalibrationData:
     """Load the calibration data for the POWGEN test data."""
     if filename is None:
@@ -120,7 +119,7 @@ def pooch_load_calibration(
 
 
 def extract_raw_data(
-    dg: RawDataAndMetadata[RunType], sizes: NeXusDetectorDimensions[NeXusDetectorName]
+    dg: RawDataAndMetadata[RunType], sizes: NeXusDetectorDimensions
 ) -> ReducibleDetectorData[RunType]:
     """Return the events from a loaded data group."""
     # Remove the tof binning and dimension, as it is not needed and it gets in the way

src/ess/snspowder/powgen/instrument_view.py

@@ -1,6 +1,5 @@
 # SPDX-License-Identifier: BSD-3-Clause
 # Copyright (c) 2023 Scipp contributors (https://github.com/scipp)
-from typing import Optional
 
 import scipp as sc
 import scippneutron as scn
@@ -9,8 +8,8 @@
 def instrument_view(
     da: sc.DataArray,
     positions: str = "position",
-    pixel_size: Optional[float] = None,
-    components: Optional[dict] = None,
+    pixel_size: float | None = None,
+    components: dict | None = None,
     **kwargs,
 ):
     """