🤖 Bump RDKit version to Release_2024_03_2 #100
Merged
Conversation
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
![github-actions[bot]](https://avatars.githubusercontent.com/in/15368?s=60&v=4){kind=small}
aelgasser
reviewed
May 29, 2024
|
Fixes #102 |
kuelumbus
added a commit
that referenced
this pull request
Jul 5, 2024
* Set RDKit version to Release_2024_03_2 * Merge branch 'main' into bump-rdkit-Release_2024_03_2 * Drop the cherry picking code again * Retire oldest-supported-numpy package * Update boost version to make compatible with numpy 2 * Fix windows builds * Enable tmate on fail * Trigger * update actions trigger * Revert changes * Avoid linking VCRUNTIME140_1 * downgrade boost to 1.78 for windows * Correct if statement * set bosot to 1.85 [skip ci] * tyr boost 1.78 [skip ci] * Disable tests [skip ci] * remove * Skip tests * Modify names of uploads [skip ci] * Choose different boost version [skip ci] * Add numpy 2 patch [skip ci] * Fix dll search path for windows stubs [skip ci] * Add Python 3.11 patch back [skip ci] * Fix patch file format * Bump cibuildwheel to 2.19.1 * Fix code to append to python path * Use UV build frontend * Enable macos builds on circle ci * Fix config * Fix xcode * Compile with numpy <2.0 * Restrict numpy to smaller 2.0 * Fix --------- Co-authored-by: Create or Update Pull Request Action <create-or-update-pull-request@users.noreply.github.com> Co-authored-by: Christopher Kuenneth <christopher.kuenneth@gmail.com> Co-authored-by: Chris Kuenneth <44866753+kuelumbus@users.noreply.github.com>
kuelumbus
added a commit
that referenced
this pull request
Jul 5, 2024
* Set RDKit version to Release_2024_03_3 * 🤖 Bump RDKit version to Release_2024_03_1 (#97) * Set RDKit version to Release_2024_03_1 * Set RDKit version to Release_2024_03_1 * 🤖 Bump RDKit version to Release_2023_09_6 (#93) * Set RDKit version to Release_2023_09_6 * Add the site-packages path to the PYTHONPATH. The rdkit stubs script tries to find the site-package path. * Install, then build stubs. * Build stubs and add to wheel files * Update * Update actions * Chreey-pick font fix and copy stubs to `rdkit-stubs` directory * Add copy log * Correct copytree logging * Bump cibuildwheel * Pin setuptools version * Auto search for files to include in the wheels * Fix artifact upload * Refactor paths * Enable ssh * Switch to arm GH action runners (macos-14). * Copy dlls to project directory for windows. * Cahne compile profile and add workaround for unary function * Reenable UNARY_BINARY_FUNCTION * try other flags * Windows: make sure dlls, pyds, and libs are copied. * Use boost 1.81 for macOS arm64 wheels * Remove the cross compilation code. * Enable cirrus builds * set boost version to 1.82 for mac arm64 * Tyr other windows paths for placing dlls. * Set boost version to 1.84 for mac arm64 * Try different dylib path * Decativate copying dylibs for macos * Use monterey runners * Set dylib directory to home/lib * Pass search path to build command * Fix setting DYLD_LIBRARY_PATH * Disable arm64 builds on GH Actions. This is too slow * Remove deprecated code * Disable cross compilation code * Add cirrus CI * Make lib dir before copying. * Add lib path to delocate * Change lib path to absolute * setup ssh only if failure * Enable win builds on cirrus ci * Remove cirrus ci windows builds * Print stubs errors to comand line * Correct path * correct path again * Add pillow as build requirement. It's required for building the stubs. * Enable ssh for windows * Don't include *.pyc files in the wheels * Fix ignore function * Run ssh on a workflow_dispatch "manual event" * Remove event * add lib dir to path env * Add more dll search paths * Search for pyd dll and lib * Add VCPKG lib path to PATH env variable * Add vcpkg binary cache * Speed up builds with ninja * Fix ninja build * Remove ninja build flags * Run tmate terminal only on debug flag --------- Co-authored-by: Create or Update Pull Request Action <create-or-update-pull-request@users.noreply.github.com> Co-authored-by: Christopher Kuenneth <christopher.kuenneth@gmail.com> * [skip ci] Install freetype for mac builds * Add freetype path explicitly [skip ci] * Overwrite build settings for mac [skip ci] * Fix settings * Remove freetype hints [skip ci] * Fix python 3.8 armv8 macos issue [skip ci] * Fix syntax [skip ci] * fix again [skip ci] * Cleaning * Bump conan to 1.64.0 * Remove rdkit cherry pick * Set RDKit version to Release_2024_03_1 * Remove cherry picking code * Enable ninja builds for linux to speed * Merge branch 'main' into bump-rdkit-Release_2024_03_1 --------- Co-authored-by: Create or Update Pull Request Action <create-or-update-pull-request@users.noreply.github.com> Co-authored-by: github-actions[bot] <41898282+github-actions[bot]@users.noreply.github.com> Co-authored-by: Christopher Kuenneth <christopher.kuenneth@gmail.com> * Enable tmate on fail * trigger on push and pull * Revert GH trigger * Avoid linking VCRUNTIME140_1 for widnows builds * 🤖 Bump RDKit version to Release_2024_03_2 (#100) * Set RDKit version to Release_2024_03_2 * Merge branch 'main' into bump-rdkit-Release_2024_03_2 * Drop the cherry picking code again * Retire oldest-supported-numpy package * Update boost version to make compatible with numpy 2 * Fix windows builds * Enable tmate on fail * Trigger * update actions trigger * Revert changes * Avoid linking VCRUNTIME140_1 * downgrade boost to 1.78 for windows * Correct if statement * set bosot to 1.85 [skip ci] * tyr boost 1.78 [skip ci] * Disable tests [skip ci] * remove * Skip tests * Modify names of uploads [skip ci] * Choose different boost version [skip ci] * Add numpy 2 patch [skip ci] * Fix dll search path for windows stubs [skip ci] * Add Python 3.11 patch back [skip ci] * Fix patch file format * Bump cibuildwheel to 2.19.1 * Fix code to append to python path * Use UV build frontend * Enable macos builds on circle ci * Fix config * Fix xcode * Compile with numpy <2.0 * Restrict numpy to smaller 2.0 * Fix --------- Co-authored-by: Create or Update Pull Request Action <create-or-update-pull-request@users.noreply.github.com> Co-authored-by: Christopher Kuenneth <christopher.kuenneth@gmail.com> Co-authored-by: Chris Kuenneth <44866753+kuelumbus@users.noreply.github.com> * Disable osx builds on circle ci * Allow numpy 2.0 * Fix yum sources * Fix yum install * Fix yum commands * Set boost version for windows to 1.78 [skip ci] * Upgrade to new manylinux image 2_28 * Fix Windows compiler errors * Update Readme [skip ci] --------- Co-authored-by: Create or Update Pull Request Action <create-or-update-pull-request@users.noreply.github.com> Co-authored-by: github-actions[bot] <41898282+github-actions[bot]@users.noreply.github.com> Co-authored-by: Christopher Kuenneth <christopher.kuenneth@gmail.com> Co-authored-by: Chris Kuenneth <44866753+kuelumbus@users.noreply.github.com>
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
Add this suggestion to a batch that can be applied as a single commit.
This suggestion is invalid because no changes were made to the code.
Suggestions cannot be applied while the pull request is closed.
Suggestions cannot be applied while viewing a subset of changes.
Only one suggestion per line can be applied in a batch.
Add this suggestion to a batch that can be applied as a single commit.
Applying suggestions on deleted lines is not supported.
You must change the existing code in this line in order to create a valid suggestion.
Outdated suggestions cannot be applied.
This suggestion has been applied or marked resolved.
Suggestions cannot be applied from pending reviews.
Suggestions cannot be applied on multi-line comments.
Suggestions cannot be applied while the pull request is queued to merge.
Suggestion cannot be applied right now. Please check back later.
New RDKit version tag detected in https://github.com/rdkit/rdkit.