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quantum-espresso: 6.3 -> 6.4 #58860

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merged 2 commits into from Apr 3, 2019

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r-ryantm
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@r-ryantm r-ryantm commented Apr 2, 2019

Semi-automatic update generated by https://github.com/ryantm/nixpkgs-update tools. This update was made based on information from https://repology.org/metapackage/quantum-espresso/versions.

meta.description for quantum-espresso is: '"Electronic-structure calculations and materials modeling at the nanoscale"'.

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

2 total rebuild path(s)

2 package rebuild(s)

2 x86_64-linux rebuild(s)
0 i686-linux rebuild(s)
0 x86_64-darwin rebuild(s)
0 aarch64-linux rebuild(s)

First fifty rebuilds by attrpath
quantum-espresso
quantum-espresso-mpi

Instructions to test this update (click to expand)

Either download from Cachix:

nix-store -r /nix/store/59aifllq0g5s405ip38zh0f2hdv7lk8n-quantum-espresso-6.4 \
  --option binary-caches 'https://cache.nixos.org/ https://r-ryantm.cachix.org/' \
  --option trusted-public-keys '
  r-ryantm.cachix.org-1:gkUbLkouDAyvBdpBX0JOdIiD2/DP1ldF3Z3Y6Gqcc4c=
  cache.nixos.org-1:6NCHdD59X431o0gWypbMrAURkbJ16ZPMQFGspcDShjY=
  '

(r-ryantm's Cachix cache is only trusted for this store-path realization.)

Or, build yourself:

nix-build -A quantum-espresso https://github.com/r-ryantm/nixpkgs/archive/882247fc3fefbc869def6b60b32c099df23b6d57.tar.gz

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

ls -la /nix/store/59aifllq0g5s405ip38zh0f2hdv7lk8n-quantum-espresso-6.4
ls -la /nix/store/59aifllq0g5s405ip38zh0f2hdv7lk8n-quantum-espresso-6.4/bin

cc @costrouc for testing.

Semi-automatic update generated by
https://github.com/ryantm/nixpkgs-update tools. This update was made
based on information from
https://repology.org/metapackage/quantum-espresso/versions
@markuskowa
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Changelog: https://github.com/QEF/q-e/releases

@costrouc
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costrouc commented Apr 3, 2019

This PR also needs to remove the unnecessary lines

# remove after 6.4 version:
# makefile needs to ignore install directory easier than applying patch
preInstall = ''
printf "\n.PHONY: install\n" >> Makefile
'';

@markuskowa are you able to do that without creating a separate PR?

@markuskowa
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@GrahamcOfBorg build quantum-espresso-mpi

@markuskowa
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@costrouc yep, does that it look OK now?

@costrouc
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costrouc commented Apr 3, 2019

Thanks for that! Yes looks great to me now. I'm impressed that auto update worked with quantum espresso

@markuskowa markuskowa merged commit e2ce5fd into NixOS:master Apr 3, 2019
@r-ryantm r-ryantm deleted the auto-update/quantum-espresso branch April 14, 2019 05:02
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4 participants