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openmolcas: fix cmake4 compatibility#449828

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SuperSandro2000 merged 1 commit intoNixOS:masterfrom
markuskowa:fix-molcas
Oct 9, 2025
Merged

openmolcas: fix cmake4 compatibility#449828
SuperSandro2000 merged 1 commit intoNixOS:masterfrom
markuskowa:fix-molcas

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@markuskowa markuskowa commented Oct 8, 2025 •
edited by Sigmanificient
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Fix build

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  • Built on platform:
    • x86_64-linux
    • aarch64-linux
    • x86_64-darwin
    • aarch64-darwin
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@nixpkgs-ci nixpkgs-ci bot added 10.rebuild-linux: 1-10 This PR causes between 1 and 10 packages to rebuild on Linux. 10.rebuild-darwin: 0 This PR does not cause any packages to rebuild on Darwin. 10.rebuild-linux: 1 This PR causes 1 package to rebuild on Linux. labels Oct 8, 2025
Sigmanificient
Sigmanificient previously requested changes Oct 8, 2025
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Hi, it looks like a fix is already available upstream: Molcas/OpenMolcas@2e3e53d. Can you fetch parts of that commit?

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markuskowa commented Oct 8, 2025

Hi, it looks like a fix is already available upstream: Molcas/OpenMolcas@2e3e53d. Can you fetch parts of this commit instead of vendoring?

The upstream fix you cite only applies to the top-level CMake file. The patch applied here fixes the subpackages, that are configured independently. Our "vendored" patch is needed either way.

@markuskowa markuskowa requested a review from sheepforce October 8, 2025 09:15
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Sigmanificient commented Oct 8, 2025

nixpkgs-review result

Generated using nixpkgs-review-gha

Command: nixpkgs-review pr 449828
Commit: 5a3f654ccdc8d67b8952c5fbdf306f9a4a49f938 (subsequent changes)
Merge: 0d1a8d0eb3d7f0f405a20d74a4a27831075b3eab

Logs: https://github.com/Sigmanificient/nixpkgs-review-gha/actions/runs/18339430722

x86_64-linux

✅ 1 package built:
  • openmolcas

aarch64-linux

✅ 1 package built:
  • openmolcas

x86_64-darwin

✅ No rebuilds

aarch64-darwin

✅ No rebuilds

@yayayayaka yayayayaka mentioned this pull request Oct 8, 2025
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sheepforce approved these changes Oct 8, 2025
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Thanks for fixing the QCMaquis build. I assume this will be workaround we will be carrying around for a very long time, as QCMaquis revisions in OpenMolcas haven't been updated for a very long time ...

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sheepforce commented Oct 8, 2025

The patch applied here fixes the subpackages, that are configured independently. Our "vendored" patch is needed either way.

Yes, the patch is required. OpenMolcas builds two subprojects of external code in place and one can not propagate all top level CMake flags to the subprojects. The patch is required anyway to fix the subprojects BLAS+LAPACK detection and now in addition also to fix CMake.

@nixpkgs-ci nixpkgs-ci bot added the 12.approvals: 1 This PR was reviewed and approved by one person. label Oct 8, 2025
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markuskowa commented Oct 9, 2025

@Sigmanificient are we good to merge this now?

@SuperSandro2000 SuperSandro2000 added this pull request to the merge queue Oct 9, 2025
Merged via the queue into NixOS:master with commit 4bf6ce7 Oct 9, 2025
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10.rebuild-darwin: 0 This PR does not cause any packages to rebuild on Darwin. 10.rebuild-linux: 1-10 This PR causes between 1 and 10 packages to rebuild on Linux. 10.rebuild-linux: 1 This PR causes 1 package to rebuild on Linux. 12.approvals: 1 This PR was reviewed and approved by one person.

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