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gromacs: 2018.4 -> 2019 #53312

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merged 1 commit into from
Jan 3, 2019
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r-ryantm
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@r-ryantm r-ryantm commented Jan 3, 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/gromacs/versions.

meta.description for gromacs is: '"Molecular dynamics software package"'.

Checks done (click to expand)
  • built on NixOS
  • Warning: no invocation of /nix/store/d7i78dfg0sy0hbg1cp9dwadaj0irz267-gromacs-2019/bin/GMXRC had a zero exit code or showed the expected version
  • /nix/store/d7i78dfg0sy0hbg1cp9dwadaj0irz267-gromacs-2019/bin/GMXRC.bash passed the binary check.
  • /nix/store/d7i78dfg0sy0hbg1cp9dwadaj0irz267-gromacs-2019/bin/GMXRC.zsh passed the binary check.
  • Warning: no invocation of /nix/store/d7i78dfg0sy0hbg1cp9dwadaj0irz267-gromacs-2019/bin/GMXRC.csh had a zero exit code or showed the expected version
  • Warning: no invocation of /nix/store/d7i78dfg0sy0hbg1cp9dwadaj0irz267-gromacs-2019/bin/demux.pl had a zero exit code or showed the expected version
  • Warning: no invocation of /nix/store/d7i78dfg0sy0hbg1cp9dwadaj0irz267-gromacs-2019/bin/xplor2gmx.pl had a zero exit code or showed the expected version
  • Warning: no invocation of /nix/store/d7i78dfg0sy0hbg1cp9dwadaj0irz267-gromacs-2019/bin/gmx-completion.bash had a zero exit code or showed the expected version
  • Warning: no invocation of /nix/store/d7i78dfg0sy0hbg1cp9dwadaj0irz267-gromacs-2019/bin/gmx-completion-gmx.bash had a zero exit code or showed the expected version
  • /nix/store/d7i78dfg0sy0hbg1cp9dwadaj0irz267-gromacs-2019/bin/gmx passed the binary check.
  • 3 of 9 passed binary check by having a zero exit code.
  • 0 of 9 passed binary check by having the new version present in output.
  • found 2019 with grep in /nix/store/d7i78dfg0sy0hbg1cp9dwadaj0irz267-gromacs-2019
  • directory tree listing: https://gist.github.com/0544292f464ccd6dceaeb774b93bf599
  • du listing: https://gist.github.com/cad4dc2ae0a5bc865098a8d2834992e7
Rebuild report (if merged into master) (click to expand)

16 total rebuild path(s)

4 package rebuild(s)

4 x86_64-linux rebuild(s)
4 i686-linux rebuild(s)
4 x86_64-darwin rebuild(s)
4 aarch64-linux rebuild(s)

First fifty rebuilds by attrpath
gromacs
gromacsDouble
gromacsDoubleMpi
gromacsMpi

Instructions to test this update (click to expand)

Either download from Cachix:

nix-store -r /nix/store/d7i78dfg0sy0hbg1cp9dwadaj0irz267-gromacs-2019 \
  --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 gromacs https://github.com/r-ryantm/nixpkgs/archive/344fd2319bd28222ce9873154b2277875712d3ac.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/d7i78dfg0sy0hbg1cp9dwadaj0irz267-gromacs-2019
ls -la /nix/store/d7i78dfg0sy0hbg1cp9dwadaj0irz267-gromacs-2019/bin

Semi-automatic update generated by
https://github.com/ryantm/nixpkgs-update tools. This update was made
based on information from
https://repology.org/metapackage/gromacs/versions
@markuskowa
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@markuskowa markuskowa merged commit d38f103 into NixOS:master Jan 3, 2019
@r-ryantm r-ryantm deleted the auto-update/gromacs branch January 9, 2019 04:44
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