make hole2 conda-forge package a dependency

[orbeckst]

We created a conda-forge package for hole2 (Linux and OSX) when we started working on mdahole2. However, the mdahole2 cf package does not install hole2 itself. It's up to the user to do so (and even that is not clear, see #25 ).

It would be much more convenient if mdahole2 installed hole2 via a dependency on the hole2 package.

Given that the conda-forge package for hole2 only supports Linux and OSX, our mdahole2 package can only depend on hole2 for these two archs.

[orbeckst]

@IAlibay @fiona-naughton is it possible to make conda package dependencies dependent on the architecture?

[IAlibay]

@orbeckst there are two packages mdahole2 (which should install hole2) and mdahole2-base (which doesn't install hole2). Is that not working as intended?

[orbeckst]

Didn’t know that we had two packages… Thanks for the explanation. At least it’s still true that the installation instructions need to be updated — that’s where I look for information about packages. And I just noticed that https://www.mdanalysis.org/hole2-mdakit/ where the docs ought to live according to https://mdakits.mdanalysis.org/hole2-mdakit.html# is a 404. The docs are at https://www.mdanalysis.org/mdahole2/Am 2/25/24 um 17:48 schrieb Irfan Alibay ***@***.***>: @orbeckst there are two packages mdahole2 (which should install hole2) and mdahole2-base (which doesn't install hole2). Is that not working as intended? —Reply to this email directly, view it on GitHub, or unsubscribe.You are receiving this because you were mentioned.Message ID: ***@***.***>

[IAlibay]

Yeah agreed on the docs.

Re: architecture dependent packages - just quickly wanted to say that yes that's a thing you can do technically. It's not the approach taken here, but it's doable.

[orbeckst]

I'll update the docs.