libxc: 6.2.2 -> 7.0.0

[r-ryantm]

Automatic update generated by nixpkgs-update tools. This update was made based on information from https://repology.org/project/libxc/versions.

meta.description for libxc is: Library of exchange-correlation functionals for density-functional theory

meta.homepage for libxc is: https://www.tddft.org/programs/Libxc/

Updates performed

• Version update

To inspect upstream changes

Impact

Checks done

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• built on NixOS
• The tests defined in passthru.tests, if any, passed
• found 7.0.0 with grep in /nix/store/8jd3zfnkngq9f2sxbsvqqjzl6wn2zjk5-libxc-7.0.0
• found 7.0.0 in filename of file in /nix/store/8jd3zfnkngq9f2sxbsvqqjzl6wn2zjk5-libxc-7.0.0

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Rebuild report (if merged into master) (click to expand)

15 total rebuild path(s)

15 package rebuild(s)

First fifty rebuilds by attrpath

cp2k
libxc
octopus
openmolcas
python311Packages.gpaw
python311Packages.pyscf
python311Packages.simple-dftd3
python311Packages.sirius
python312Packages.gpaw
python312Packages.pyscf
python312Packages.simple-dftd3
python312Packages.sirius
quantum-espresso
sirius

Instructions to test this update (click to expand)

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Either download from Cachix:

nix-store -r /nix/store/8jd3zfnkngq9f2sxbsvqqjzl6wn2zjk5-libxc-7.0.0 \
  --option binary-caches 'https://cache.nixos.org/ https://nix-community.cachix.org/' \
  --option trusted-public-keys '
  nix-community.cachix.org-1:mB9FSh9qf2dCimDSUo8Zy7bkq5CX+/rkCWyvRCYg3Fs=
  cache.nixos.org-1:6NCHdD59X431o0gWypbMrAURkbJ16ZPMQFGspcDShjY=
  '

(The Cachix cache is only trusted for this store-path realization.)
For the Cachix download to work, your user must be in the trusted-users list or you can use sudo since root is effectively trusted.

Or, build yourself:

nix-build -A libxc https://github.com/r-ryantm/nixpkgs/archive/97f57ea4fe7d89a877ab994f7089def29acb3b61.tar.gz

Or:

nix build github:r-ryantm/nixpkgs/97f57ea4fe7d89a877ab994f7089def29acb3b61#libxc

After you've downloaded or built it, look at the files and if there are any, run the binaries:

ls -la /nix/store/8jd3zfnkngq9f2sxbsvqqjzl6wn2zjk5-libxc-7.0.0
ls -la /nix/store/8jd3zfnkngq9f2sxbsvqqjzl6wn2zjk5-libxc-7.0.0/bin

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Pre-merge build results

We have automatically built all packages that will get rebuilt due to
this change.

This gives evidence on whether the upgrade will break dependent packages.
Note sometimes packages show up as failed to build independent of the
change, simply because they are already broken on the target branch.

nixpkgs-review result

Generated using nixpkgs-review.

Command: nixpkgs-review

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x86_64-linux

❌ 22 packages failed to build:

• cp2k
• octopus
• openmolcas
• python311Packages.gpaw
• python311Packages.gpaw.dist
• python311Packages.pyscf
• python311Packages.pyscf.dist
• python311Packages.simple-dftd3
• python311Packages.simple-dftd3.dist
• python311Packages.sirius
• python311Packages.sirius.dev
• python312Packages.gpaw
• python312Packages.gpaw.dist
• python312Packages.pyscf
• python312Packages.pyscf.dist
• python312Packages.simple-dftd3
• python312Packages.simple-dftd3.dist
• python312Packages.sirius
• python312Packages.sirius.dev
• quantum-espresso
• sirius
• sirius.dev

✅ 2 packages built:

• libxc
• libxc.dev

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Maintainer pings

cc @markuskowa for testing.

Tip

As a maintainer, if your package is located under pkgs/by-name/*, you can comment @NixOS/nixpkgs-merge-bot merge to automatically merge this update using the nixpkgs-merge-bot.

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Add a 👍 reaction to pull requests you find important.

[markuskowa]

Converting to draft, Libxc-7 breaks all packages.

Please do not close this PR.

[markuskowa]

See also #348409 for tracking.