Bump numpy requirement to 1.24, matching Mantid (#309)

* Bump numpy requirement to 1.24, matching Mantid

While transitioning to Numpy 2.0 it is helpful to reduce the range of
versions being used and tested. As we are changing other requirements
in this release, it is a good time to bump Numpy.

Here we also update the build/release workflow to add Python 3.12 and
build with Numpy 2.0; these builds _should_ also work with all the
supported numpy 1.x.

* Bump threadpoolctl requirement to 3.0

"Min requirements" tests were throwing up some warnings suggesting that the openblas API wasn't being accessed succesfully. This seems to be resolved in version 3 and there are no knock-on effects to other dependencies.

.github/workflows/build_upload_pypi_wheels.yml

@@ -9,22 +9,23 @@ jobs:
   build:
     strategy:
       matrix:
-        os: [windows-latest, macos-13, ubuntu-latest]
-        python-version: ['3.10', '3.11']
+        os: [windows-latest, macos-13, macos-latest, ubuntu-latest]
+        python-version: ['3.10', '3.11', '3.12']
         include:
           - os: windows-latest
             wheelname: win
           - os: macos-13
-            wheelname: macos
+            wheelname: macos-intel
+          - os: macos-latest
+            wheelname: macos-arm
           - os: ubuntu-latest
             wheelname: manylinux
-          # Build wheels against the lowest compatible Numpy version
           - python-version: '3.10'
             manylinux-version-tag: cp310
-            numpy-version: 1.21.3
           - python-version: '3.11'
             manylinux-version-tag: cp311
-            numpy-version: 1.23.2
+          - python-version: '3.11'
+            manylinux-version-tag: cp311
       fail-fast: false
     runs-on: ${{ matrix.os }}
     steps:
@@ -50,7 +51,7 @@ jobs:
         if: matrix.os != 'ubuntu-latest'
         shell: bash -l {0}
         env:
-          NUMPY_VERSION: ${{ matrix.numpy-version }}
+          NUMPY_VERSION: 2.0
         run: |
           # Build against lowest required Numpy version
           python -m pip install numpy==${NUMPY_VERSION}
@@ -61,7 +62,7 @@ jobs:
         uses: pypa/[email protected]
         env:
           CIBW_BUILD: ${{ matrix.manylinux-version-tag}}-manylinux*
-          CIBW_BEFORE_BUILD: python -mpip install numpy==${{ matrix.numpy-version }}
+          CIBW_BEFORE_BUILD: python -mpip install numpy==2.0
           CIBW_ARCHS: x86_64
         with:
           output-dir: wheelhouse

CHANGELOG.rst

@@ -7,20 +7,22 @@
 
   - Python 3.12 is supported
 
-  - Python 3.10+ requires numpy >= 1.21.3
-
   - importlib_resources backport is no longer required
 
-  - Some other dependency requirements have been increased because
-    older versions are difficult to test against Python 3.10:
+  - Some other dependency requirements have been increased in order
+    to simplify maintenance and testing:
+
+    - Minimum version of numpy increased from 1.19.3 to 1.24.0
 
     - Minimum version of matplotlib increased from 3.2 to 3.8
 
     - Minimum version of Pint increased from 0.19 to 0.22
 
     - Minimum version of PyYAML increased from 3.13 to 6.0
 
-    - Minimum version of h5py increaased form 2.10 to 3.6
+    - Minimum version of h5py increaased from 2.10 to 3.6
+
+    - Minimum version of threadpoolctl increased from 1.0 to 3.0.
 
 - Big fixes
 

setup.py

@@ -139,11 +139,12 @@ def run_setup():
         include_package_data=True,
         install_requires=[
             'packaging',
-            'scipy>=1.10',  # requires numpy >= 1.19.5; py3.10 requires 1.21.3
+            'numpy>=1.24.0',
+            'scipy>=1.10',
             'seekpath>=1.1.0',
             'spglib>=1.9.4',
             'pint>=0.22',
-            'threadpoolctl>=1.0.0'
+            'threadpoolctl>=3.0.0'
         ],
         extras_require={
             'matplotlib': ['matplotlib>=3.8.0'],

tests_and_analysis/minimum_euphonic_requirements.txt

@@ -1,9 +1,9 @@
-numpy==1.21.3
+numpy==1.24.0
 scipy==1.10.0
 spglib==1.9.4.2
 seekpath==1.1.0
 pint==0.22
 matplotlib==3.8
 h5py==3.6
 PyYAML==6.0
-threadpoolctl==1.0.0
+threadpoolctl==3.0.0

tox.ini

@@ -91,7 +91,8 @@ install_command =
 platform =
     linux: linux
 deps =
-    numpy==1.21.3
+    numpy==1.24.0
+    {[testenv:py310]deps}
 commands_pre =
     python -m pip install --force-reinstall \
         -r{toxinidir}/tests_and_analysis/minimum_euphonic_requirements.txt