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Rebuild for numpy 2.0 #158

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regro-cf-autotick-bot
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This PR has been triggered in an effort to update numpy2.

Notes and instructions for merging this PR:

  1. Please merge the PR only after the tests have passed.
  2. Feel free to push to the bot's branch to update this PR if needed.

Please note that if you close this PR we presume that the feedstock has been rebuilt, so if you are going to perform the rebuild yourself don't close this PR until the your rebuild has been merged.


Here are some more details about this specific migrator:

TL;DR: The way we build against numpy has changed as of numpy 2.0. This bot
PR has updated the recipe to account for the changes (see below for details).

The biggest change is that we no longer need to use the oldest available numpy
version at build time in order to support old numpy version at runtime - numpy
will by default use a compatible ABI for the oldest still-supported numpy versions.

Additionally, we no longer need to use {{ pin_compatible("numpy") }} as a
run requirement - this has been handled for more than two years now by a
run-export on the numpy package itself. The migrator will therefore remove
any occurrences of this.

However, by default, building against numpy 2.0 will assume that the package
is compatible with numpy 2.0, which is not necessarily the case. You should
check that the upstream package explicitly supports numpy 2.0, otherwise you
need to add a - numpy <2.0dev0 run requirement until that happens (check numpy
issue 26191 for an overview of the most important packages).

To-Dos:

  • Match run-requirements for numpy (i.e. check upstream pyproject.toml or however the project specifies numpy compatibility)
    • If upstream is not yet compatible with numpy 2.0, add numpy <2.0dev0 upper bound under run:.
    • If upstream is already compatible with numpy 2.0, nothing else should be necessary in most cases.
    • If upstream requires a minimum numpy version newer than 1.19, you can add numpy >=x.y under run:.
  • Remove any remaining occurrences of {{ pin_compatible("numpy") }} that the bot may have missed.

PS. If the build does not compile anymore, this is almost certainly a sign that
the upstream project is not yet ready for numpy 2.0; do not close this PR until
a version compatible with numpy 2.0 has been released upstream and on this
feedstock (in the meantime, you can keep the bot from reopening this PR in
case of git conflicts by marking it as a draft).


If this PR was opened in error or needs to be updated please add the bot-rerun label to this PR. The bot will close this PR and schedule another one. If you do not have permissions to add this label, you can use the phrase @conda-forge-admin, please rerun bot in a PR comment to have the conda-forge-admin add it for you.

This PR was created by the regro-cf-autotick-bot. The regro-cf-autotick-bot is a service to automatically track the dependency graph, migrate packages, and propose package version updates for conda-forge. Feel free to drop us a line if there are any issues! This PR was generated by - please use this URL for debugging.

TL;DR: The way we build against numpy has changed as of numpy 2.0. This bot
PR has updated the recipe to account for the changes (see below for details).

The biggest change is that we no longer need to use the oldest available numpy
version at build time in order to support old numpy version at runtime - numpy
will by default use a compatible ABI for the oldest still-supported numpy versions.

Additionally, we no longer need to use `{{ pin_compatible("numpy") }}` as a
run requirement - this has been handled for more than two years now by a
run-export on the numpy package itself. The migrator will therefore remove
any occurrences of this.

However, by default, building against numpy 2.0 will assume that the package
is compatible with numpy 2.0, which is not necessarily the case. You should
check that the upstream package explicitly supports numpy 2.0, otherwise you
need to add a `- numpy <2.0dev0` run requirement until that happens (check numpy
issue 26191 for an overview of the most important packages).

### To-Dos:
  * [ ] Match run-requirements for numpy (i.e. check upstream `pyproject.toml` or however the project specifies numpy compatibility)
    * If upstream is not yet compatible with numpy 2.0, add `numpy <2.0dev0` upper bound under `run:`.
    * If upstream is already compatible with numpy 2.0, nothing else should be necessary in most cases.
    * If upstream requires a minimum numpy version newer than 1.19, you can add `numpy >=x.y` under `run:`.
  * [ ] Remove any remaining occurrences of `{{ pin_compatible("numpy") }}` that the bot may have missed.

PS. If the build does not compile anymore, this is almost certainly a sign that
the upstream project is not yet ready for numpy 2.0; do not close this PR until
a version compatible with numpy 2.0 has been released upstream and on this
feedstock (in the meantime, you can keep the bot from reopening this PR in
case of git conflicts by marking it as a draft).
@conda-forge-webservices
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Hi! This is the friendly automated conda-forge-linting service.

I just wanted to let you know that I linted all conda-recipes in your PR (recipe) and found it was in an excellent condition.

@atztogo
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atztogo commented Jul 14, 2024

I was thinking the problem is in phonopy source code, but maybe not.

Two different blas packages are installed for numpy2.0 case:

libopenblas:             0.3.27-pthreads_hf0a32cb_1
libblas:                 3.9.0-22_win64_mkl

although only the later for numpy1.22.

@jan-janssen, can we skip making win package for numpy 2.0?

@jan-janssen
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@conda-forge-admin, please rerender

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Hi! This is the friendly automated conda-forge-webservice.

I tried to rerender for you but ran into some issues. Please check the output logs of the latest webservices GitHub actions workflow run for errors. You can also ping conda-forge/core for further assistance or you can try rerendeing locally.

This message was generated by GitHub actions workflow run https://github.com/conda-forge/phonopy-feedstock/actions/runs/9933773776.

@janosh
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janosh commented Aug 6, 2024

is this ready to go? bumping this thread as a numpy v2-compatible phonopy would help with pymatgen's numpy 2 migration materialsproject/pymatgen#3894

@atztogo
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atztogo commented Aug 6, 2024

@jan-janssen, do you think this can be merged?

@jan-janssen
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Yes, from my perspective this can be merged. Just a word of caution we skip the windows builds for numpy > 2 given the issues with the numerical convergence we had before:

skip: ture  # [win and numpy >= 2.0]

@atztogo atztogo merged commit 02dcef6 into conda-forge:main Aug 6, 2024
22 checks passed
@atztogo
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atztogo commented Aug 6, 2024

Currently,

skip: ture # [win and numpy == '2.0']

@regro-cf-autotick-bot regro-cf-autotick-bot deleted the rebuild-numpy2-0-1_h989723 branch August 7, 2024 00:05
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4 participants