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Remove rdkit-dev #103

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Remove rdkit-dev #103

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n-elie
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@n-elie n-elie commented Jun 14, 2022

rdkit-dev was created because the Windows package was too big. #86 seems to have made the Windows build lighter.
So rdkit-dev might not be useful anymore

Checklist

  • Used a personal fork of the feedstock to propose changes
  • Bumped the build number (if the version is unchanged)
  • Reset the build number to 0 (if the version changed)
  • Re-rendered with the latest conda-smithy (Use the phrase @conda-forge-admin, please rerender in a comment in this PR for automated rerendering)
  • Ensured the license file is being packaged.

@conda-forge-linter
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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.

@rvianello
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I'm wondering if this change could also indirectly address #60

@mcs07
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mcs07 commented Jun 20, 2022

I think this looks good?

Just to confirm - It looks like this keeps the rdkit-dev package, but basically as an empty wrapper around the updated rdkit package? That probably does make sense to avoid breaking things for people who currently depend on rdkit-dev.

Also, is there any way to see the package size before/after this change from the CI logs? Or would someone have to build locally to check?

Comment on lines +74 to +77
- name: rdkit-dev
requirements:
run:
- rdkit
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Suggested change
- name: rdkit-dev
requirements:
run:
- rdkit
- name: rdkit-dev
build:
run_exports:
- {{ pin_subpackage('rdkit', max_pin='x.x.x') }}
requirements:
run:
- {{ pin_subpackage('rdkit', exact=True) }}

We need the dev/non dev package versions to always match exactly because rdkit-dev is now an alias.

@@ -12,7 +12,7 @@ source:
sha256: e2832077e258bfe906c9c0dc1664d2ba4fc0acf98bfe073c6383cb1d051b6ef0

build:
number: 0
number: 1
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Suggested change
number: 1
number: 1
run_exports:
- {{ pin_subpackage('rdkit', max_pin='x.x.x') }}

If people link to the C API of this package, they need to get the same ABI at runtime.

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This change is for the overall build and will update the rdkit subpackage as well; I don't think the pin is necessary and it seems a bit out of place since it's at a higher level than the subpackage definition?

@@ -51,6 +51,7 @@ requirements:
test:
commands:
- python -c "import rdkit; assert rdkit.__version__ == '{{ version }}'"
- if not exist %LIBRARY_INC%\\rdkit\\Catalogs\\Catalog.h exit 1 # [win]
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Add more existence tests to ensure that all the expected outputs (types) are being included in the new combined package.

@carterbox
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carterbox commented Jul 28, 2022

@mcs07, you can use the conda-forge.yml to make Azure store the build artifacts, then you can download them from the CI. store_build_artifacts: True

https://conda-forge.org/docs/maintainer/conda_forge_yml.html?highlight=conda+forge+yml#azure

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@skearnes
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Can we close this?

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6 participants