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Packages/elk 10.2.4#48456

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sjjamsa wants to merge 8 commits intospack:developfrom
sjjamsa:packages/elk-10.2.4
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Packages/elk 10.2.4#48456
sjjamsa wants to merge 8 commits intospack:developfrom
sjjamsa:packages/elk-10.2.4

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@sjjamsa
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@sjjamsa sjjamsa commented Jan 8, 2025

This PR gives partial support to the latest version of elk.

I've tested that spack install [email protected] linalg=generic fft=fftw ^[email protected] worked for me.

The package elk doesn't have a maintainer.

@spackbot help

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spackbot-app bot commented Jan 8, 2025

Hi @sjjamsa! I noticed that the following package(s) don't yet have maintainers:

  • elk

Are you interested in adopting any of these package(s)? If so, simply add the following to the package class:

    maintainers("sjjamsa")

If not, could you contact the developers of this package and see if they are interested? You can quickly see who has worked on a package with spack blame:

$ spack blame elk

Thank you for your help! Please don't add maintainers without their consent.

You don't have to be a Spack expert or package developer in order to be a "maintainer," it just gives us a list of users willing to review PRs or debug issues relating to this package. A package can have multiple maintainers; just add a list of GitHub handles of anyone who wants to volunteer.

@tldahlgren
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This PR gives partial support to the latest version of elk.

I've tested that spack install [email protected] linalg=generic fft=fftw ^[email protected] worked for me.

Can you confirm that at least one of the older versions still builds successfully with these changes?

@tldahlgren
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@aurianer @rscohn2 @acastanedam As relatively recent contributors to the package, do any of you want to review this PR?

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Confirmed the new version sha256.

@tldahlgren tldahlgren self-assigned this Jan 9, 2025
@sjjamsa
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sjjamsa commented Jan 9, 2025

This PR gives partial support to the latest version of elk.
I've tested that spack install [email protected] linalg=generic fft=fftw ^[email protected] worked for me.

Can you confirm that at least one of the older versions still builds successfully with these changes?

I can say that 8.3.22 did not compile with spack install [email protected] linalg=generic fft=fftw ^[email protected] before my changes and doesn't compile after them either. (Seems to be some issue with the fftw wrapper.)

spack install [email protected] linalg=generic ^[email protected] fails for some libxc issue both before and after my changes.

This package would need someone to test and fix all the variants to make it really work. I can only do testing about variants my "client" needs.

(I've hollered here https://sourceforge.net/p/elk/discussion/897822/thread/e3e6f22bf5/ for someone to adopt the package.)

@acastanedam
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Hi @sjjamsa, thanks for triggering the update. For me, [email protected] linalg=generic ^[email protected] is working. On the other hand, I think the patch file is not required, I've just seen the internal BLAS/LAPACK/FFTW sources have been removed since version 8.6. I have done an update of the package file taking into account some of your observations, and check compilation for version 8.8, 9.6 and 10.2. If you do not mind I can do a new PR (@tldahlgren, how should we proceed?).
Best regards

@tldahlgren
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If you do not mind I can do a new PR (@tldahlgren, how should we proceed?). Best regards

Just so I'm clear. Are you suggesting this PR could be merged and you (@acastanedam) will create a follow-up PR to address the new changes you mention? Or are you proposing a new PR with all of the changes?

I'm fine either way. Let me know what you want to do.

@sjjamsa
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sjjamsa commented Jan 15, 2025

If you do not mind I can do a new PR (@tldahlgren, how should we proceed?). Best regards

Just so I'm clear. Are you suggesting this PR could be merged and you (@acastanedam) will create a follow-up PR to address the new changes you mention? Or are you proposing a new PR with all of the changes?

I'm fine either way. Let me know what you want to do.

Hi!

I recommend @acastanedam creates a new PR and adds here a link to the new PR. I'll close this PR after that.

Very good that someone more involved with the code takes care of this. I felt my edits were a jerry-rig at best.

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Hi @sjjamsa and @tldahlgren, I pushed the following PR: #48583
Thanks

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sjjamsa commented Jan 16, 2025

closing as superseded by PR: #48583.

@sjjamsa sjjamsa closed this Jan 16, 2025
@sjjamsa sjjamsa deleted the packages/elk-10.2.4 branch January 16, 2025 06:44
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3 participants