update recipe to v0.3.1

[orionarcher]

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-webservices]

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.

[orionarcher]

@conda-forge-admin, please rerender

[orionarcher]

@hmacdope how does this look?

EDIT:

The build seems to be failing because it can't find the tar file at the given URL error here.

Do you have any idea why this might be happening?

[hmacdope]

@conda-forge-admin, please rerender

[github-actions]

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

I tried to rerender for you, but it looks like there was nothing to do.

This message was generated by GitHub actions workflow run https://github.com/conda-forge/solvation_analysis-feedstock/actions/runs/4591375462.

[hmacdope]

@orionarcher honestly no idea, the PyPi install works fine for me and re-render says no work to do. Status also says python infra is up (https://status.python.org/).

You also seem to have got the hashes right. I'll ping the cf team, I could be missing something obvious.

[hmacdope]

@conda-forge/help-python would you be able to provide us some guidance on this failing download in the azure CI.

[conda-forge-webservices]

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 (recipe) and found some lint.

Here's what I've got...

For recipe:

• Selectors are suggested to take a <two spaces>#<one space>[<expression>] form. See lines [30]
• noarch packages can't have selectors. If the selectors are necessary, please remove noarch: python.

[conda-forge-webservices]

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.

[orionarcher]

Thanks for taking a swing at this, the error messages mean pretty much nothing to me. Hopefully the conda-forge folks can advise.

[hmacdope]

Thanks for taking a swing at this, the error messages mean pretty much nothing to me. Hopefully the conda-forge folks can advise.

It's back on us now, versioneeer is misbehaving

[hmacdope]

I'll have another crack today

[hmacdope]

If i'm correct @orionarcher the issue is now that

- pathlib
- pytest
- rdkit

are not being installed as part of the pip install.

You will need to fix pyproject.toml and cut a new patch release.

[orionarcher]

Got it, thanks for the help!

I'm looking at pyproject.toml and it already includes pathlib, pytest, and rdkit. These are all available on PyPI and conda-forge and also included in requirments.txt and setup.py.

The only place they are missing is in the meta.yml in the main repo. If I update that could it fix the issue? Happy to, but don't want to mint an extra version unecessarily.