Open slochower opened 5 years ago
So.... GitHub generated generated archives are not eternal. In practice this means that their shad expire every few months. If you want a non expirable Sha you have to use a github release or get a tarball from another source
It's not that issue @mariusvniekerk. @slochower you need to update the SHA256 of the archive when you update the version.
Ah! My mistake. Updating momentarily! Thanks @mariusvniekerk @isuruf .
Okay, great. I'd like to merge the PR. Is there a special place I should mark that is is okay that tests are failing because they depend on stuff outside the conda-forge ecosystem?
Ideally those things should probably be in the conda forge ecosystem. If they are not there then other users can't easily use this package.
Agreed & agreed. But their maintenance is unfortunately out of my control. We are working on it, though (for example)!
Can you make those dependencies optional? i.e. package would have less features if those dependencies are not installed, but still work.
@isuruf not really, unfortunately. At least, not yet. This package sets up, runs, and analyzes simulations. Without the simulation code, it really wouldn't work at all (we can't even setup the simulations, because we need to know something about how the simulations work). But it looks like ambertools
now has a working conda-forge package and hopefully openmm
will be coming along shortly (held up due to figuring out how to deal with various CUDA installations, whether through conda
or through NVIDIA).
One thing you could do if you want to is to patch the conda-forge version of the package so that it warns users that this package needs additional dependencies and gives some degree of instruction on how to install them.
@mariusvniekerk interesting idea. How would I do that? Would I need to make separate releases on GitHub just for conda-forge then?
The openmm
folks have added their package to conda-forge with GPU support. Figured you'd be happy to know that. 🙂
Oh, right, yes of course. I've been following the thread (about whether to include the OpenCL back end...) . Thanks for following up here, much appreciated. I will update this conda recipe soon.
Issue: Hi @conda-forge/core,
I'm seeing an SHA256 mismatch on my Azure builds. I'm not sure where to start helping debugging this. The only change I made is bumping the version number of my package and I just re-forked the feedstock, so everything should be up to date. Can you point me in the right direction? Thanks!