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conda-forge / rdkit-feedstock

A conda-smithy repository for rdkit.
BSD 3-Clause "New" or "Revised" License
8 stars 22 forks source link

adding skeleton test #23

Closed pstjohn closed 5 years ago

pstjohn commented 5 years ago

Addresses #22. I wonder if there's some binary incompatibility with packages from the last time these got built and now; lets see what happens on CI.

conda-forge-linter commented 5 years ago

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.

pstjohn commented 5 years ago

Seeing errors on mac from rdkit/rdkit#2143 But the import tests seem to work.

bgruening commented 5 years ago

@pstjohn do you have time to merge this with master?

@conda-forge-admin, please re-render

conda-forge-linter commented 5 years ago

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

I was trying to look for recipes to lint for you, but it appears we have a merge conflict. Please try to merge or rebase with the base branch to resolve this conflict.

Please ping the 'conda-forge/core' team (using the @ notation in a comment) if you believe this is a bug.

pstjohn commented 5 years ago

At this point its probably easier to close this and open a new PR from master with these lines from the meta.yml:

  commands:
    python -c "from rdkit.Chem import MolFromSmiles; list(MolFromSmiles('CCO').GetAtoms())"