python312 tests/build (#104)

* Python 3.12 tests and build * PyTables 3.9.1 as minimal version * Python 3.9 as minimal version * cibuildwheel v2.16.2
chembl · Oct 25, 2023 · 378b3f1 · 378b3f1
1 parent 10f0399
commit 378b3f1
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Showing 4 changed files with 44 additions and 27 deletions.
diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
@@ -6,8 +6,8 @@ on:
       - master
   push:
     branches:
-      - '*'
-    tags: '*'
+      - master
+
 jobs:
   test:
     name: FPSim2 (${{ matrix.os }}, ${{ matrix.python-version }}, ${{ matrix.rdkit-version }})
@@ -16,7 +16,7 @@ jobs:
       fail-fast: false
       matrix:
         os: ["ubuntu-latest", "macos-latest", "windows-latest"]
-        python-version: ["3.8", "3.9", "3.10", "3.11"]
+        python-version: ["3.9", "3.10", "3.11", "3.12"]
     steps:
       - uses: actions/checkout@v3
       - uses: actions/setup-python@v4

diff --git a/.github/workflows/sqla_tests.yml b/.github/workflows/sqla_tests.yml
@@ -6,8 +6,7 @@ on:
       - master
   push:
     branches:
-      - '*'
-    tags: '*'
+      - master
 
 jobs:
   # Label of the container job

diff --git a/.github/workflows/wheels.yml b/.github/workflows/wheels.yml
@@ -2,13 +2,15 @@ name: build wheels
 
 on:
   workflow_dispatch:
-  pull_request:
-  push:
-    branches:
-     - master
   release:
     types:
       - published
+  pull_request:
+    branches:
+      - master
+  push:
+    branches:
+      - master
 
 concurrency:
   group: ${{ github.workflow }}-${{ github.ref }}
@@ -40,68 +42,85 @@ jobs:
       matrix:
         include:
           # Windows 64 bit
-          - os: windows-2019
-            python: 38
-            platform_id: win_amd64
           - os: windows-latest
+            bitness: 64
             python: 39
             platform_id: win_amd64
           - os: windows-latest
+            bitness: 64
             python: 310
             platform_id: win_amd64
           - os: windows-latest
+            bitness: 64
             python: 311
             platform_id: win_amd64
+          - os: windows-latest
+            bitness: 64
+            python: 312
+            platform_id: win_amd64
 
           # Linux 64 bit manylinux2014
           - os: ubuntu-latest
-            python: 38
-            platform_id: manylinux_x86_64
-            manylinux_image: manylinux2014
-          - os: ubuntu-latest
+            bitness: 64
             python: 39
             platform_id: manylinux_x86_64
             manylinux_image: manylinux2014
           - os: ubuntu-latest
+            bitness: 64
             python: 310
             platform_id: manylinux_x86_64
             manylinux_image: manylinux2014
           - os: ubuntu-latest
+            bitness: 64
             python: 311
             platform_id: manylinux_x86_64
             manylinux_image: manylinux2014
+          - os: ubuntu-latest
+            bitness: 64
+            python: 312
+            platform_id: manylinux_x86_64
+            manylinux_image: manylinux2014
 
           # MacOS x86_64
           - os: macos-latest
-            python: 38
-            platform_id: macosx_x86_64
-          - os: macos-latest
+            bitness: 64
             python: 39
             platform_id: macosx_x86_64
           - os: macos-latest
+            bitness: 64
             python: 310
             platform_id: macosx_x86_64
           - os: macos-latest
+            bitness: 64
             python: 311
             platform_id: macosx_x86_64
+          - os: macos-latest
+            bitness: 64
+            python: 312
+            platform_id: macosx_x86_64
 
           # MacOS arm64
           - os: macos-latest
-            python: 38
-            platform_id: macosx_arm64
-          - os: macos-latest
+            bitness: 64
             python: 39
             platform_id: macosx_arm64
           - os: macos-latest
+            bitness: 64
             python: 310
             platform_id: macosx_arm64
           - os: macos-latest
+            bitness: 64
             python: 311
             platform_id: macosx_arm64
+          - os: macos-latest
+            bitness: 64
+            python: 312
+            platform_id: macosx_arm64
+
 
     steps:
     - uses: actions/checkout@v3
-    - uses: pypa/cibuildwheel@v2.11.2
+    - uses: pypa/cibuildwheel@v2.16.2
       env:
         CIBW_BUILD: cp${{ matrix.python }}-${{ matrix.platform_id }}
         CIBW_ARCHS_LINUX: x86_64 aarch64

diff --git a/setup.py b/setup.py
@@ -134,20 +134,19 @@ def build_extensions(self):
     long_description_content_type="text/markdown",
     ext_modules=ext_modules,
     install_requires=[
-        "rdkit>=2023.03.2",
-        "tables>=3.4.4,<=3.8.0",
+        "rdkit>=2022.3.3",
+        "tables>=3.9.1",
         "numpy >=1.14",
         "sqlalchemy>=1.4.47",
         "scipy",
         "tqdm",
     ],
     cmdclass={"build_ext": BuildExt},
-    python_requires=">=3.8",
+    python_requires=">=3.9",
     zip_safe=False,
     classifiers=[
         "Development Status :: 4 - Beta",
         "License :: OSI Approved :: MIT License",
-        "Programming Language :: Python :: 3.8",
         "Programming Language :: Python :: 3.9",
         "Programming Language :: Python :: 3.10",
         "Programming Language :: Python :: 3.11",