osx builds? #8
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There is no big difference from linux build, except that gfortran-related libraries are included in the distribution. |
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@hainm, would you be interested in taking over or joining me as maintainer of this feedstock? I guess you can help out with this kind of query far better than I can and there are probably a few things that could be improved in the recipe. |
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Hi Simon,
I am sorry I can’t not work on this. I don’t work for AMBER anymore so I
have limited availability for it. I currently only maintain the softwares I
wrote.
But do feel free to ask any questions.
Cheers.
…On Thu, Oct 17, 2019 at 4:15 AM Simon Bray ***@***.***> wrote:
@hainm <https://github.com/hainm>, would you be interested in taking over
or joining me as maintainer of this feedstock? I guess you can help out
with this kind of query far better than I can and there are probably a few
things that could be improved in the recipe.
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I have some familiarity with building conda packages on OSX, for a subset of AmberTools. I have zero experience with feedstocks. Let me study the recipes and build scripts you have already created, and see how much I can understand. |
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Thanks a lot. I would definitely appreciate some help from AmberTools developers, and it seems there is quite a lot of interest in having it available through conda-forge. The feedstock is nothing special; it's just a repository containing the recipe which is used to build the package. |
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OK: I see that you are including the conda compilers as pre-requisites, which makes sense. Has anyone just tried the current recipe on OSX? The main problem is that Apple doesn't provide any Fortran compiler in Xcode, and I'm not sure what conda really does when gfortran is listed as a prerequisite in the recipe. Hai developed the workaround (cited above) that I have been using, to include the necessary gfortran libraries in the distribution. But this is a kludge, and having conda-build handle all this should be the preferred solution, if we can get it to work. |
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Yes; I tried it in this PR: #6. The Azure OSX build failed, and I don't have access to macOS locally to investigate further. As far as I understand conda-forge requires compilers (and all other dependencies) to be included in this way. They are installed from the respective conda packages e.g. https://github.com/conda-forge/gfortran_osx-64-feedstock in this case. |
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I have OSX machines to try this on, but it may take a week or so to get to it, since my schedule is packed right now. Feel free to ping me if you don't hear anything. |
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@simonbray @jchodera -- Sorry to be slow, and I may be posting this to the wrong issue(?) Anyway, the issue here is this: when gfortran is installed from conda, our build script cannot compile and run a 3-line fortran program. So the issue is not an Amber one, but probably that we don't know how to correctly set gfortran as a re-requisite for a conda build. Simon asked for the enivironments on my OSX machine (10.15, Catailina) for when there is a gfortran prerequisite (which fails) and when I use my own compilers (which works, but doesn't appear to match a requirement that all compilers be installed from conda packages, as noted above). So, I just changed the build.sh script to print the environment and "exit 1". Here is the environment when a use the conda packages: Next, here is the environment when the compilers are not listed as prerequisites in the meta.yaml file: Hope this helps someone.... |
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@dacase, thanks for reporting back. I'll try and find some time to look at this again over the next few weeks. |
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Thanks for maintaining a conda-forge build of AmberTools!
Has there been an effort to build
osxbuilds of this feedstock? If not, I wonder if @hainm has some thoughts on how we might be able to get that to work.The text was updated successfully, but these errors were encountered: