Enable python 3.12 RDKit builds (#83)

* Bump cibuildwheel to 2.15 * Enable Python 3.12 * Update conan to 1.60.2 * Add python 3.12 to table * cibuildwheel to 2.16 * Install conan from git. * oops * Bump cibuildwheel to 2.16.2 * Specify Inchi library path manually * Windows again * windows again again * What the hell Windows?
kuelumbus · Oct 24, 2023 · 414da1d · 414da1d
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diff --git a/.circleci/config.yml b/.circleci/config.yml
@@ -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/
@@ -36,3 +36,4 @@ workflows:
                 - "39"
                 - "310"
                 - "311"
+                - "312"
diff --git a/.github/workflows/wheels.yml b/.github/workflows/wheels.yml
@@ -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
@@ -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)
 
@@ -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
@@ -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
@@ -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
 

diff --git a/README.md b/README.md
@@ -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
 
@@ -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.
diff --git a/pyproject.toml b/pyproject.toml
@@ -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"