python312 tests/build

.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

.github/workflows/sqla_tests.yml

@@ -6,8 +6,7 @@ on:
  - master
  push:
  branches:
- - '*'
- tags: '*'
+ - master
 
 jobs:
  # Label of the container job

.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

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",