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Add cuequivariance family #28695

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@fxcoudert fxcoudert commented Dec 24, 2024

Including cuequivariance, cuequivariance-jax and cuequivariance-torch

This is a requirement to update pymace (conda-forge/pymace-feedstock#12), which is already present on conda-forge, to the latest version.


Checklist

  • Title of this PR is meaningful: e.g. "Adding my_nifty_package", not "updated meta.yaml".
  • License file is packaged (see here for an example).
  • Source is from official source.
  • Package does not vendor other packages. (If a package uses the source of another package, they should be separate packages or the licenses of all packages need to be packaged).
  • If static libraries are linked in, the license of the static library is packaged.
  • Package does not ship static libraries. If static libraries are needed, follow CFEP-18.
  • Build number is 0.
  • A tarball (url) rather than a repo (e.g. git_url) is used in your recipe (see here for more details).
  • GitHub users listed in the maintainer section have posted a comment confirming they are willing to be listed there.
  • When in trouble, please check our knowledge base documentation before pinging a team.

Of note: the license file itself is not shipped in the source distribution, although it is clearly indicated on the repo and other materials.

Including cuequivariance, cuequivariance-jax and cuequivariance-torch
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Hi! This is the staged-recipes linter and your PR looks excellent! 🚀

@conda-forge-admin
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conda-forge-admin commented Dec 24, 2024

Hi! This is the friendly automated conda-forge-linting service.

I wanted to let you know that I linted all conda-recipes in your PR (recipes/cuequivariance-torch/meta.yaml, recipes/cuequivariance/meta.yaml, recipes/cuequivariance-jax/meta.yaml) and found some lint.

Here's what I've got...

For recipes/cuequivariance-torch/meta.yaml:

  • ❌ license_file entry is missing, but is required.

For recipes/cuequivariance-torch/meta.yaml:

  • ℹ️ noarch: python recipes should usually follow the syntax in our documentation for specifying the Python version.
    • For the host section of the recipe, you should usually use python {{ python_min }} for the python entry.
    • For the run section of the recipe, you should usually use python >={{ python_min }} for the python entry.
    • For the test.requires section of the recipe, you should usually use python {{ python_min }} for the python entry.
    • If the package requires a newer Python version than the currently supported minimum version on conda-forge, you can override the python_min variable by adding a Jinja2 set statement at the top of your recipe (or using an equivalent context variable for v1 recipes).

For recipes/cuequivariance/meta.yaml:

  • ❌ license_file entry is missing, but is required.

For recipes/cuequivariance/meta.yaml:

  • ℹ️ noarch: python recipes should usually follow the syntax in our documentation for specifying the Python version.
    • For the host section of the recipe, you should usually use python {{ python_min }} for the python entry.
    • For the run section of the recipe, you should usually use python >={{ python_min }} for the python entry.
    • For the test.requires section of the recipe, you should usually use python {{ python_min }} for the python entry.
    • If the package requires a newer Python version than the currently supported minimum version on conda-forge, you can override the python_min variable by adding a Jinja2 set statement at the top of your recipe (or using an equivalent context variable for v1 recipes).

For recipes/cuequivariance-jax/meta.yaml:

  • ❌ license_file entry is missing, but is required.

For recipes/cuequivariance-jax/meta.yaml:

  • ℹ️ noarch: python recipes should usually follow the syntax in our documentation for specifying the Python version.
    • For the host section of the recipe, you should usually use python {{ python_min }} for the python entry.
    • For the run section of the recipe, you should usually use python >={{ python_min }} for the python entry.
    • For the test.requires section of the recipe, you should usually use python {{ python_min }} for the python entry.
    • If the package requires a newer Python version than the currently supported minimum version on conda-forge, you can override the python_min variable by adding a Jinja2 set statement at the top of your recipe (or using an equivalent context variable for v1 recipes).

This message was generated by GitHub Actions workflow run https://github.com/conda-forge/conda-forge-webservices/actions/runs/12484761790. Examine the logs at this URL for more detail.

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conda-forge-admin commented Dec 24, 2024

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 (recipes/cuequivariance-jax/meta.yaml, recipes/cuequivariance-torch/meta.yaml, recipes/cuequivariance/meta.yaml) and found it was in an excellent condition.

I do have some suggestions for making it better though...

For recipes/cuequivariance-jax/meta.yaml:

  • ℹ️ noarch: python recipes should usually follow the syntax in our documentation for specifying the Python version.
    • For the test.requires section of the recipe, you should usually use python {{ python_min }} for the python entry.
    • If the package requires a newer Python version than the currently supported minimum version on conda-forge, you can override the python_min variable by adding a Jinja2 set statement at the top of your recipe (or using an equivalent context variable for v1 recipes).

For recipes/cuequivariance-torch/meta.yaml:

  • ℹ️ noarch: python recipes should usually follow the syntax in our documentation for specifying the Python version.
    • For the test.requires section of the recipe, you should usually use python {{ python_min }} for the python entry.
    • If the package requires a newer Python version than the currently supported minimum version on conda-forge, you can override the python_min variable by adding a Jinja2 set statement at the top of your recipe (or using an equivalent context variable for v1 recipes).

For recipes/cuequivariance/meta.yaml:

  • ℹ️ noarch: python recipes should usually follow the syntax in our documentation for specifying the Python version.
    • For the test.requires section of the recipe, you should usually use python {{ python_min }} for the python entry.
    • If the package requires a newer Python version than the currently supported minimum version on conda-forge, you can override the python_min variable by adding a Jinja2 set statement at the top of your recipe (or using an equivalent context variable for v1 recipes).

This message was generated by GitHub Actions workflow run https://github.com/conda-forge/conda-forge-webservices/actions/runs/12485210297. Examine the logs at this URL for more detail.

@fxcoudert
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Linux and macOS succeed. Windows fails for cuequivariance-jax only, because jaxlib is not present there:

Encountered problems while solving:
  - nothing provides jaxlib >=0.3.22 needed by jax-0.4.1-pyhd8ed1ab_0

I'm now trying to skip cuequivariance-jax on win.

@conda-forge-admin
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conda-forge-admin commented Dec 24, 2024

Hi! This is the friendly automated conda-forge-linting service.

I wanted to let you know that I linted all conda-recipes in your PR (recipes/cuequivariance-jax/meta.yaml, recipes/cuequivariance/meta.yaml, recipes/cuequivariance-torch/meta.yaml) and found some lint.

Here's what I've got...

For recipes/cuequivariance-jax/meta.yaml:

  • ❌ Non noarch packages should have python requirement without any version constraints.

For recipes/cuequivariance/meta.yaml:

  • ℹ️ noarch: python recipes should usually follow the syntax in our documentation for specifying the Python version.
    • For the test.requires section of the recipe, you should usually use python {{ python_min }} for the python entry.
    • If the package requires a newer Python version than the currently supported minimum version on conda-forge, you can override the python_min variable by adding a Jinja2 set statement at the top of your recipe (or using an equivalent context variable for v1 recipes).

For recipes/cuequivariance-torch/meta.yaml:

  • ℹ️ noarch: python recipes should usually follow the syntax in our documentation for specifying the Python version.
    • For the test.requires section of the recipe, you should usually use python {{ python_min }} for the python entry.
    • If the package requires a newer Python version than the currently supported minimum version on conda-forge, you can override the python_min variable by adding a Jinja2 set statement at the top of your recipe (or using an equivalent context variable for v1 recipes).

This message was generated by GitHub Actions workflow run https://github.com/conda-forge/conda-forge-webservices/actions/runs/12485435030. Examine the logs at this URL for more detail.

@conda-forge-admin
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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 (recipes/cuequivariance-jax/meta.yaml, recipes/cuequivariance-torch/meta.yaml, recipes/cuequivariance/meta.yaml) and found it was in an excellent condition.

I do have some suggestions for making it better though...

For recipes/cuequivariance-torch/meta.yaml:

  • ℹ️ noarch: python recipes should usually follow the syntax in our documentation for specifying the Python version.
    • For the test.requires section of the recipe, you should usually use python {{ python_min }} for the python entry.
    • If the package requires a newer Python version than the currently supported minimum version on conda-forge, you can override the python_min variable by adding a Jinja2 set statement at the top of your recipe (or using an equivalent context variable for v1 recipes).

For recipes/cuequivariance/meta.yaml:

  • ℹ️ noarch: python recipes should usually follow the syntax in our documentation for specifying the Python version.
    • For the test.requires section of the recipe, you should usually use python {{ python_min }} for the python entry.
    • If the package requires a newer Python version than the currently supported minimum version on conda-forge, you can override the python_min variable by adding a Jinja2 set statement at the top of your recipe (or using an equivalent context variable for v1 recipes).

This message was generated by GitHub Actions workflow run https://github.com/conda-forge/conda-forge-webservices/actions/runs/12485471222. Examine the logs at this URL for more detail.

@conda-forge-admin
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conda-forge-admin commented Dec 24, 2024

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 (recipes/cuequivariance/meta.yaml, recipes/cuequivariance-torch/meta.yaml, recipes/cuequivariance-jax/meta.yaml) and found it was in an excellent condition.

@fxcoudert
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@conda-forge-admin, please ping conda-forge/help-python, ready for review!

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

I was asked to ping @conda-forge/help-python, and so here I am doing that.

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