enable ELPA support - Githubissues

conda-forge / qe-feedstock

A conda-smithy repository for qe.

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

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enable ELPA support #29

Closed Chronum94 closed 1 year ago

Chronum94 commented 2 years ago

Checklist

[x] Used a personal fork of the feedstock to propose changes
[] Bumped the build number (if the version is unchanged)
[x] Reset the build number to 0 (if the version changed)
[ ] 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)
[ ] Ensured the license file is being packaged.

The QE release source has been changed to Gitlab.
Elpa support has been added to the build.
CMake requirement updated to >=3.18.0 since it's a recommended prerequisite?

Can we add LibXC support too for the Linux case? It appears they build Fortran bindings in Linux now.

The unchecked checkboxes up top have been left alone since I can't intelligently decide on what is the correct choice.

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.

Chronum94 commented 2 years ago

@jan-janssen All but one test seems to be passing, so maybe this can get a review?

ltalirz commented 2 years ago

Hi @Chronum94 , thanks for the contribution!

It seems to me that the linux build fails because it does not find average.x anymore (not entirely sure?). Could you check whether that binary does no longer exist in 7.1? If not, then the corresponding check can be removed.

That the build on osx is timing out seems a bit more worrying, I guess this has to do with the introduction of ELPA.

Also, the test suite on Linux seems to take significantly longer now (2800s vs 1800s before - this can also depend on the runner but it would warrant some benchmark).

Chronum94 commented 1 year ago

Would this be a good opportunity to enable a few more add-ons? I had pw2qmcpack in mind. https://github.com/QMCPACK/pw2qmcpack Suggests that it's just a change to the CMake build line.

ltalirz commented 1 year ago

I suggest you open a separate PR for this once we've merged this one

jan-janssen commented 1 year ago

From my side this is fine - what about @jan-janssen ?

I am sorry for the delay - yes looks good to me. Merged it.