add python 3.12 support (#273)

* add python 3.12

* [pre-commit.ci] auto fixes from pre-commit.com hooks

for more information, see https://pre-commit.ci

* install development dependencies in build workflow

* logg setuptools version

* enable support for more setuptools versions

* [pre-commit.ci] auto fixes from pre-commit.com hooks

for more information, see https://pre-commit.ci

* update conf.py for sphinx 8

* edit docstring for sphinx

* add codecov token

---------

Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>

.github/workflows/build.yml

@@ -16,7 +16,7 @@ jobs:
     strategy:
       matrix:
         numpy-version: ['numpy<2.0', 'numpy>=2.0']
-        python-version: ['3.9', '3.10', '3.11']
+        python-version: ['3.9', '3.10', '3.11', '3.12']
 
     # Skip CI if 'skip ci' is contained in latest commit message
     if: "!contains(github.event.head_commit.message, 'skip ci')"
@@ -33,15 +33,17 @@ jobs:
       run: |
         python -m pip install --upgrade pip
         pip install "${{ matrix.numpy-version }}"
-        pip install -e .
+        pip install -e .[dev]
         pip install ray
+        python -c 'import setuptools;print(f"Using setuptools version: {setuptools.__version__}")'
 
     - name: Test with pytest
       run: |
-        python setup.py test
+        pytest
 
     - name: Upload coverage to Codecov
       uses: codecov/codecov-action@v4
       with:
         file: ./coverage.xml
         flags: unittests
+        token: ${{ secrets.CODECOV_TOKEN }}

docs/conf.py

@@ -70,7 +70,7 @@
 
 # prolog taken nearly verbatim from https://github.com/spatialaudio/nbsphinx/blob/98005a9d6b331b7d6d14221539154df69f7ae51a/doc/conf.py#L38
 nbsphinx_prolog = r"""
-{% set docname = 'docs/' + env.doc2path(env.docname, base=None) %}
+{% set docname = 'docs/' + env.doc2path(env.docname, base=None) | string() %}
 
 .. raw:: html
 

reciprocalspaceship/VERSION

@@ -1 +1 @@
-1.0.2
+1.0.3

reciprocalspaceship/__init__.py

@@ -1,8 +1,15 @@
 # Version number for reciprocalspaceship
 def getVersionNumber():
-    import pkg_resources
+    version = None
+    try:
+        from setuptools.version import metadata
+
+        version = metadata.version("reciprocalspaceship")
+    except ImportError:
+        from setuptools.version import pkg_resources
+
+        version = pkg_resources.require("reciprocalspaceship")[0].version
 
-    version = pkg_resources.require("reciprocalspaceship")[0].version
     return version
 
 

reciprocalspaceship/io/crystfel.py

@@ -487,9 +487,7 @@ def read_crystfel(
         The type of byte-encoding (optional, 'utf-8').
     columns : list (optional)
         Optionally specify the columns of the output by a list of strings.
-        The default list is:
-            [ "H", "K", "L", "I", "SigI", "BATCH", "s1x", "s1y", "s1z", "ewald_offset",
-            "angular_ewald_offset", "XDET", "YDET" ]
+        The default list is: [ "H", "K", "L", "I", "SigI", "BATCH", "s1x", "s1y", "s1z", "ewald_offset", "angular_ewald_offset", "XDET", "YDET" ]
         See `rs.io.crystfel.StreamLoader().available_column_names` for a list of available
         column names and *Notes* for a description of the returned columns
     parallel : bool (optional)