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gromacs: 2018.2 -> 2018.3 #46275

Merged
merged 1 commit into from Sep 12, 2018
Merged

gromacs: 2018.2 -> 2018.3 #46275

merged 1 commit into from Sep 12, 2018

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r-ryantm
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@r-ryantm r-ryantm commented Sep 7, 2018

Semi-automatic update generated by https://github.com/ryantm/nixpkgs-update tools. This update was made based on information from gromacs.

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

Checks done (click to expand)
  • built on NixOS
  • Warning: no invocation of /nix/store/csr319fk2dz6m21yixjka2q3h3mr80s7-gromacs-2018.3/bin/GMXRC had a zero exit code or showed the expected version
  • /nix/store/csr319fk2dz6m21yixjka2q3h3mr80s7-gromacs-2018.3/bin/GMXRC.bash passed the binary check.
  • /nix/store/csr319fk2dz6m21yixjka2q3h3mr80s7-gromacs-2018.3/bin/GMXRC.zsh passed the binary check.
  • Warning: no invocation of /nix/store/csr319fk2dz6m21yixjka2q3h3mr80s7-gromacs-2018.3/bin/GMXRC.csh had a zero exit code or showed the expected version
  • Warning: no invocation of /nix/store/csr319fk2dz6m21yixjka2q3h3mr80s7-gromacs-2018.3/bin/demux.pl had a zero exit code or showed the expected version
  • Warning: no invocation of /nix/store/csr319fk2dz6m21yixjka2q3h3mr80s7-gromacs-2018.3/bin/xplor2gmx.pl had a zero exit code or showed the expected version
  • Warning: no invocation of /nix/store/csr319fk2dz6m21yixjka2q3h3mr80s7-gromacs-2018.3/bin/gmx-completion.bash had a zero exit code or showed the expected version
  • Warning: no invocation of /nix/store/csr319fk2dz6m21yixjka2q3h3mr80s7-gromacs-2018.3/bin/gmx-completion-gmx.bash had a zero exit code or showed the expected version
  • /nix/store/csr319fk2dz6m21yixjka2q3h3mr80s7-gromacs-2018.3/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 2018.3 with grep in /nix/store/csr319fk2dz6m21yixjka2q3h3mr80s7-gromacs-2018.3
  • directory tree listing: https://gist.github.com/ea15cd7335f85795f88c95eef23779d2
  • du listing: https://gist.github.com/23052af56d14679218e43ba790628554
Instructions to test this update (click to expand)

One-time optional setup to skip building using Cachix:

  1. Install cachix from https://cachix.org/
  2. Use r-ryantm's cache: 
    cachix use r-ryantm

Test this update by entering a nix shell, seeing what is inside the
result, and if applicable, running some binaries:

nix-shell --pure -I nixpkgs=https://github.com/r-ryantm/nixpkgs/archive/c957931c6b55c70d8695a9a2b3e82e94af6d67d3.tar.gz -p gromacs
ls -la /nix/store/csr319fk2dz6m21yixjka2q3h3mr80s7-gromacs-2018.3

gromacs: 2018.2 -> 2018.3
c957931 
Semi-automatic update generated by
https://github.com/ryantm/nixpkgs-update tools. This update was made
based on information from
gromacs
@GrahamcOfBorg
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Success on aarch64-linux (full log)

Attempted: gromacs

Partial log (click to expand)

-- Installing: /nix/store/kadxszdgrahx1x8z7yv2lyym2nxxfd2b-gromacs-2018.3/bin/gmx-completion-gmx.bash
post-installation fixup
shrinking RPATHs of ELF executables and libraries in /nix/store/kadxszdgrahx1x8z7yv2lyym2nxxfd2b-gromacs-2018.3
shrinking /nix/store/kadxszdgrahx1x8z7yv2lyym2nxxfd2b-gromacs-2018.3/lib/libgromacs.so.3.3.0
shrinking /nix/store/kadxszdgrahx1x8z7yv2lyym2nxxfd2b-gromacs-2018.3/bin/gmx
gzipping man pages under /nix/store/kadxszdgrahx1x8z7yv2lyym2nxxfd2b-gromacs-2018.3/share/man/
strip is /nix/store/y4ymnvgxygpq05h03kyzbj572zmh6zla-binutils-2.30/bin/strip
stripping (with command strip and flags -S) in /nix/store/kadxszdgrahx1x8z7yv2lyym2nxxfd2b-gromacs-2018.3/lib  /nix/store/kadxszdgrahx1x8z7yv2lyym2nxxfd2b-gromacs-2018.3/bin
patching script interpreter paths in /nix/store/kadxszdgrahx1x8z7yv2lyym2nxxfd2b-gromacs-2018.3
checking for references to /build in /nix/store/kadxszdgrahx1x8z7yv2lyym2nxxfd2b-gromacs-2018.3...

@GrahamcOfBorg
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Success on x86_64-darwin (full log)

Attempted: gromacs

Partial log (click to expand)

-- Installing: /nix/store/p528mqlfb4q5wxg6ga2d27v1iyrnlaqf-gromacs-2018.3/include/gromacs/trajectoryanalysis/cmdlinerunner.h
-- Installing: /nix/store/p528mqlfb4q5wxg6ga2d27v1iyrnlaqf-gromacs-2018.3/bin/gmx
-- Up-to-date: /nix/store/p528mqlfb4q5wxg6ga2d27v1iyrnlaqf-gromacs-2018.3/bin
-- Installing: /nix/store/p528mqlfb4q5wxg6ga2d27v1iyrnlaqf-gromacs-2018.3/bin/gmx-completion.bash
-- Installing: /nix/store/p528mqlfb4q5wxg6ga2d27v1iyrnlaqf-gromacs-2018.3/bin/gmx-completion-gmx.bash
post-installation fixup
gzipping man pages under /nix/store/p528mqlfb4q5wxg6ga2d27v1iyrnlaqf-gromacs-2018.3/share/man/
strip is /nix/store/df6k4mgdjxciy0f637lryp7c9ln7n1m3-cctools-binutils-darwin/bin/strip
stripping (with command strip and flags -S) in /nix/store/p528mqlfb4q5wxg6ga2d27v1iyrnlaqf-gromacs-2018.3/lib  /nix/store/p528mqlfb4q5wxg6ga2d27v1iyrnlaqf-gromacs-2018.3/bin
patching script interpreter paths in /nix/store/p528mqlfb4q5wxg6ga2d27v1iyrnlaqf-gromacs-2018.3

@GrahamcOfBorg
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Success on x86_64-linux (full log)

Attempted: gromacs

Partial log (click to expand)

-- Installing: /nix/store/csr319fk2dz6m21yixjka2q3h3mr80s7-gromacs-2018.3/bin/gmx-completion-gmx.bash
post-installation fixup
shrinking RPATHs of ELF executables and libraries in /nix/store/csr319fk2dz6m21yixjka2q3h3mr80s7-gromacs-2018.3
shrinking /nix/store/csr319fk2dz6m21yixjka2q3h3mr80s7-gromacs-2018.3/lib/libgromacs.so.3.3.0
shrinking /nix/store/csr319fk2dz6m21yixjka2q3h3mr80s7-gromacs-2018.3/bin/gmx
gzipping man pages under /nix/store/csr319fk2dz6m21yixjka2q3h3mr80s7-gromacs-2018.3/share/man/
strip is /nix/store/h0lbngpv6ln56hjj59i6l77vxq25flbz-binutils-2.30/bin/strip
stripping (with command strip and flags -S) in /nix/store/csr319fk2dz6m21yixjka2q3h3mr80s7-gromacs-2018.3/lib  /nix/store/csr319fk2dz6m21yixjka2q3h3mr80s7-gromacs-2018.3/bin
patching script interpreter paths in /nix/store/csr319fk2dz6m21yixjka2q3h3mr80s7-gromacs-2018.3
checking for references to /build in /nix/store/csr319fk2dz6m21yixjka2q3h3mr80s7-gromacs-2018.3...

@xeji xeji merged commit e94947a into NixOS:master Sep 12, 2018
@r-ryantm r-ryantm deleted the auto-update/gromacs branch September 20, 2018 04:29
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