Build 1.0 beta - Githubissues

conda-forge / openmm-ml-feedstock

A conda-smithy repository for openmm-ml.

BSD 3-Clause "New" or "Revised" License

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Build 1.0 beta #3

Closed peastman closed 2 years ago

peastman commented 2 years ago

Checklist

[x] Used a personal fork of the feedstock to propose changes
[x] Reset the build number to 0 (if the version changed)
[x] Re-rendered with the latest conda-smithy (Use the phrase code>@<space/conda-forge-admin, please rerender in a comment in this PR for automated rerendering)

For the moment I switched back to a noarch build and removed NNPOps as a dependency, since that looks like the quickest path to getting the beta out. We need to find a better solution within the next couple of weeks, so we can handle it properly in the release candidate.

conda-forge-linter commented 2 years ago

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:

noarch: python recipes are required to have a lower bound on the python version. Typically this means putting python >=3.6 in both host and run but you should check upstream for the package's Python compatibility.

conda-forge-linter commented 2 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.

peastman commented 2 years ago

@conda-forge-admin, please rerender

peastman commented 2 years ago

@conda-forge-admin, please rerender

peastman commented 2 years ago

@conda-forge-admin, please rerender

peastman commented 2 years ago

It's not getting the dependencies:

Mamba failed to solve:
 - pip
 - openmm 8.0.0beta
 - python >=3.6
 - numpy
 - openmm-torch 1.0beta

with channels:

The reported errors are:
- Encountered problems while solving:
-   - nothing provides requested openmm 8.0.0beta
-   - nothing provides requested openmm-torch 1.0beta

I tried specifying the channels both as

channel_sources:
- conda-forge/label/openmm_rc,conda-forge/label/openmm-torch_rc,conda-forge

and as

channel_sources:
- conda-forge/label/openmm_rc
- conda-forge/label/openmm-torch_rc
- conda-forge

but neither one works. What am I doing wrong?

conda-forge-linter commented 2 years ago

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:

The requirements/ sections should be defined in the following order: build, host, run; instead saw: host, build, run.

conda-forge-linter commented 2 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.

peastman commented 2 years ago

The corresponding changes are in #2.