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Enable python 3.12 RDKit builds #83

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Oct 24, 2023
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3 changes: 2 additions & 1 deletion .circleci/config.yml
Original file line number Diff line number Diff line change
Expand Up @@ -20,7 +20,7 @@ jobs:
CIBW_MANYLINUX_I686_IMAGE: manylinux2014

command: |
python3 -m pip install cibuildwheel==2.13.1
python3 -m pip install cibuildwheel==2.16.2
python3 -m cibuildwheel --output-dir wheelhouse
- store_artifacts:
path: wheelhouse/
Expand All @@ -36,3 +36,4 @@ workflows:
- "39"
- "310"
- "311"
- "312"
21 changes: 20 additions & 1 deletion .github/workflows/wheels.yml
Original file line number Diff line number Diff line change
Expand Up @@ -34,6 +34,11 @@ jobs:
python: 311
bitness: 64
platform_id: win_amd64
- os: windows-2022
python: 312
bitness: 64
platform_id: win_amd64


# Linux 64 bit Intel: x86_64
- os: ubuntu-latest
Expand All @@ -56,6 +61,11 @@ jobs:
bitness: 64
platform_id: manylinux_x86_64
manylinux_image: manylinux2014
- os: ubuntu-latest
python: 312
bitness: 64
platform_id: manylinux_x86_64
manylinux_image: manylinux2014

# Linux 64 bit ARM: aarch64 (on Circle CI)

Expand All @@ -76,6 +86,11 @@ jobs:
bitness: 64
python: 311
platform_id: macosx_x86_64
- os: macos-11
bitness: 64
python: 312
platform_id: macosx_x86_64


# MacOS 64 bit ARM: arm64
- os: macos-11
Expand All @@ -94,6 +109,10 @@ jobs:
bitness: 64
python: 311
platform_id: macosx_arm64
- os: macos-11
bitness: 64
python: 312
platform_id: macosx_arm64

steps:
- uses: actions/checkout@v3
Expand Down Expand Up @@ -131,7 +150,7 @@ jobs:
if [ "$RUNNER_OS" == "Windows" ]; then
cd C:\\rdkit
fi
python -m pip install cibuildwheel==2.13.1
python -m pip install cibuildwheel==2.16.2
python -m cibuildwheel --output-dir wheelhouse
shell: bash

Expand Down
16 changes: 8 additions & 8 deletions README.md
Original file line number Diff line number Diff line change
Expand Up @@ -18,13 +18,13 @@ Please open an issue if you find something missing or not working as expected.
![GitHub Repo stars](https://img.shields.io/github/stars/kuelumbus/rdkit-pypi?style=for-the-badge&logo=github)
## Available Builds

| OS | Arch | Bit | Conditions | 3.8 | 3.9 | 3.10 | 3.11 | CI |
| ------- | ------- | --- | --------------------------------------------------- | --- | --- | ---- | ---- | -------------- |
| Linux | intel | 64 | glibc >= 2.17 (e.g., Ubuntu 16.04+, CentOS 6+, ...) | ✔️ | ✔️ | ✔️ | ✔️ | Github Actions |
| Linux | aarch64 | 64 | glibc >= 2.17 (e.g., Raspberry Pi, ...) | ✔️ | ✔️ | ✔️ | ✔️ | Circle CI |
| macOS | intel | 64 | >= macOS-11 | ✔️ | ✔️ | ✔️ | ✔️ | Github Actions |
| macOS | armv8 | 64 | >= macOS-11 (M1 hardware) | ✔️ | ✔️ | ✔️ | ✔️ | Github Actions |
| Windows | intel | 64 | | ✔️ | ✔️ | ✔️ | ✔️ | Github Actions |
| OS | Arch | Bit | Conditions | 3.8 | 3.9 | 3.10 | 3.11 | 3.12 | CI |
| ------- | ------- | --- | --------------------------------------------------- | --- | --- | ---- | ---- | ---- | -------------- |
| Linux | intel | 64 | glibc >= 2.17 (e.g., Ubuntu 16.04+, CentOS 6+, ...) | ✔️ | ✔️ | ✔️ | ✔️ | ✔️ | Github Actions |
| Linux | aarch64 | 64 | glibc >= 2.17 (e.g., Raspberry Pi, ...) | ✔️ | ✔️ | ✔️ | ✔️ | ✔️ | Circle CI |
| macOS | intel | 64 | >= macOS-11 | ✔️ | ✔️ | ✔️ | ✔️ | ✔️ | Github Actions |
| macOS | armv8 | 64 | >= macOS-11 (M1 hardware) | ✔️ | ✔️ | ✔️ | ✔️ | ✔️ | Github Actions |
| Windows | intel | 64 | | ✔️ | ✔️ | ✔️ | ✔️ | ✔️ | Github Actions |

## Installation

Expand Down Expand Up @@ -55,4 +55,4 @@ cd rdkit-pypi
CIBW_BUILD=cp38-manylinux_x86_64 python3 -m cibuildwheel --platform linux --output-dir wheelhouse --config-file pyproject.toml
```

Replace `cp38-manylinux_x86_64` with `cp39-manylinux_x86_64`, `cp310-manylinux_x86_64`, or `cp311-manylinux_x86_64` to build for different Python versions.
Replace `cp38-manylinux_x86_64` with `cp39-manylinux_x86_64`, `cp310-manylinux_x86_64`, `cp311-manylinux_x86_64`, or `cp312-manylinux_x86_64` to build for different Python versions.
3 changes: 2 additions & 1 deletion pyproject.toml
Original file line number Diff line number Diff line change
Expand Up @@ -4,7 +4,8 @@ requires = [
"wheel",
"cmake == 3.21.1",
"oldest-supported-numpy",
"conan == 1.59.0",
# "conan == 1.60.2",
"conan@git+https://github.com/conan-io/conan@e992ec6ff0992ed543e14b1aceaee8139fed701a",
"ninja",
]
build-backend = "setuptools.build_meta"
Expand Down