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gromacs: 2018.1 -> 2018.2 #42504

Merged
merged 1 commit into from Jun 27, 2018
Merged

gromacs: 2018.1 -> 2018.2 #42504

merged 1 commit into from Jun 27, 2018

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r-ryantm
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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.

These checks were done:

  • built on NixOS
  • Warning: no invocation of /nix/store/illh3rp28ipz35z0wipsfc18z4m03sah-gromacs-2018.2/bin/GMXRC had a zero exit code or showed the expected version
  • /nix/store/illh3rp28ipz35z0wipsfc18z4m03sah-gromacs-2018.2/bin/GMXRC.bash passed the binary check.
  • /nix/store/illh3rp28ipz35z0wipsfc18z4m03sah-gromacs-2018.2/bin/GMXRC.zsh passed the binary check.
  • Warning: no invocation of /nix/store/illh3rp28ipz35z0wipsfc18z4m03sah-gromacs-2018.2/bin/GMXRC.csh had a zero exit code or showed the expected version
  • Warning: no invocation of /nix/store/illh3rp28ipz35z0wipsfc18z4m03sah-gromacs-2018.2/bin/demux.pl had a zero exit code or showed the expected version
  • Warning: no invocation of /nix/store/illh3rp28ipz35z0wipsfc18z4m03sah-gromacs-2018.2/bin/xplor2gmx.pl had a zero exit code or showed the expected version
  • Warning: no invocation of /nix/store/illh3rp28ipz35z0wipsfc18z4m03sah-gromacs-2018.2/bin/gmx-completion.bash had a zero exit code or showed the expected version
  • Warning: no invocation of /nix/store/illh3rp28ipz35z0wipsfc18z4m03sah-gromacs-2018.2/bin/gmx-completion-gmx.bash had a zero exit code or showed the expected version
  • /nix/store/illh3rp28ipz35z0wipsfc18z4m03sah-gromacs-2018.2/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 2018.2 with grep in /nix/store/illh3rp28ipz35z0wipsfc18z4m03sah-gromacs-2018.2
  • directory tree listing: https://gist.github.com/1679f0362dfcc7299a6d5b8d9e76c14e
  • du listing: https://gist.github.com/2f848bb0fe181676c17b61a9d5a94953

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

Experimental: this build is cached with Cachix. To use the cache follow these experimental instructions:

One time setup in nixpkgs Git checkout:

cachix use r-ryantm
git remote add r-ryantm https://github.com/r-ryantm/nixpkgs.git

Test this build:

git fetch r-ryantm && git checkout 1815db24b616974faed9d9d4d349215e37629585 && nix-shell --pure -I nixpkgs=. -p gromacs

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.

These checks were done:

- built on NixOS
- Warning: no invocation of /nix/store/illh3rp28ipz35z0wipsfc18z4m03sah-gromacs-2018.2/bin/GMXRC had a zero exit code or showed the expected version
- /nix/store/illh3rp28ipz35z0wipsfc18z4m03sah-gromacs-2018.2/bin/GMXRC.bash passed the binary check.
- /nix/store/illh3rp28ipz35z0wipsfc18z4m03sah-gromacs-2018.2/bin/GMXRC.zsh passed the binary check.
- Warning: no invocation of /nix/store/illh3rp28ipz35z0wipsfc18z4m03sah-gromacs-2018.2/bin/GMXRC.csh had a zero exit code or showed the expected version
- Warning: no invocation of /nix/store/illh3rp28ipz35z0wipsfc18z4m03sah-gromacs-2018.2/bin/demux.pl had a zero exit code or showed the expected version
- Warning: no invocation of /nix/store/illh3rp28ipz35z0wipsfc18z4m03sah-gromacs-2018.2/bin/xplor2gmx.pl had a zero exit code or showed the expected version
- Warning: no invocation of /nix/store/illh3rp28ipz35z0wipsfc18z4m03sah-gromacs-2018.2/bin/gmx-completion.bash had a zero exit code or showed the expected version
- Warning: no invocation of /nix/store/illh3rp28ipz35z0wipsfc18z4m03sah-gromacs-2018.2/bin/gmx-completion-gmx.bash had a zero exit code or showed the expected version
- /nix/store/illh3rp28ipz35z0wipsfc18z4m03sah-gromacs-2018.2/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 2018.2 with grep in /nix/store/illh3rp28ipz35z0wipsfc18z4m03sah-gromacs-2018.2
- directory tree listing: https://gist.github.com/1679f0362dfcc7299a6d5b8d9e76c14e
- du listing: https://gist.github.com/2f848bb0fe181676c17b61a9d5a94953
@GrahamcOfBorg
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Success on x86_64-linux (full log)

Attempted: gromacs

Partial log (click to expand)

-- Installing: /nix/store/illh3rp28ipz35z0wipsfc18z4m03sah-gromacs-2018.2/bin/gmx-completion-gmx.bash
post-installation fixup
shrinking RPATHs of ELF executables and libraries in /nix/store/illh3rp28ipz35z0wipsfc18z4m03sah-gromacs-2018.2
shrinking /nix/store/illh3rp28ipz35z0wipsfc18z4m03sah-gromacs-2018.2/bin/gmx
shrinking /nix/store/illh3rp28ipz35z0wipsfc18z4m03sah-gromacs-2018.2/lib/libgromacs.so.3.2.0
gzipping man pages under /nix/store/illh3rp28ipz35z0wipsfc18z4m03sah-gromacs-2018.2/share/man/
strip is /nix/store/4qvrxzxa535y8304mk195x50b6p9607d-binutils-2.30/bin/strip
stripping (with command strip and flags -S) in /nix/store/illh3rp28ipz35z0wipsfc18z4m03sah-gromacs-2018.2/lib  /nix/store/illh3rp28ipz35z0wipsfc18z4m03sah-gromacs-2018.2/bin
patching script interpreter paths in /nix/store/illh3rp28ipz35z0wipsfc18z4m03sah-gromacs-2018.2
checking for references to /build in /nix/store/illh3rp28ipz35z0wipsfc18z4m03sah-gromacs-2018.2...

@GrahamcOfBorg
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Success on aarch64-linux (full log)

Attempted: gromacs

Partial log (click to expand)

-- Installing: /nix/store/3v5yxl3r4q99q1j9szpx09z5lkfbdj4q-gromacs-2018.2/bin/gmx-completion-gmx.bash
post-installation fixup
shrinking RPATHs of ELF executables and libraries in /nix/store/3v5yxl3r4q99q1j9szpx09z5lkfbdj4q-gromacs-2018.2
shrinking /nix/store/3v5yxl3r4q99q1j9szpx09z5lkfbdj4q-gromacs-2018.2/lib/libgromacs.so.3.2.0
shrinking /nix/store/3v5yxl3r4q99q1j9szpx09z5lkfbdj4q-gromacs-2018.2/bin/gmx
gzipping man pages under /nix/store/3v5yxl3r4q99q1j9szpx09z5lkfbdj4q-gromacs-2018.2/share/man/
strip is /nix/store/0pjsgkxz0rp5baycq5sp2s72lrr5q9sg-binutils-2.30/bin/strip
stripping (with command strip and flags -S) in /nix/store/3v5yxl3r4q99q1j9szpx09z5lkfbdj4q-gromacs-2018.2/lib  /nix/store/3v5yxl3r4q99q1j9szpx09z5lkfbdj4q-gromacs-2018.2/bin
patching script interpreter paths in /nix/store/3v5yxl3r4q99q1j9szpx09z5lkfbdj4q-gromacs-2018.2
checking for references to /build in /nix/store/3v5yxl3r4q99q1j9szpx09z5lkfbdj4q-gromacs-2018.2...

@GrahamcOfBorg
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Success on x86_64-darwin (full log)

Attempted: gromacs

Partial log (click to expand)

-- Installing: /nix/store/m5x025lpwhwq7dcbwms65fn3gfwmnhkl-gromacs-2018.2/include/gromacs/trajectoryanalysis/cmdlinerunner.h
-- Installing: /nix/store/m5x025lpwhwq7dcbwms65fn3gfwmnhkl-gromacs-2018.2/bin/gmx
-- Up-to-date: /nix/store/m5x025lpwhwq7dcbwms65fn3gfwmnhkl-gromacs-2018.2/bin
-- Installing: /nix/store/m5x025lpwhwq7dcbwms65fn3gfwmnhkl-gromacs-2018.2/bin/gmx-completion.bash
-- Installing: /nix/store/m5x025lpwhwq7dcbwms65fn3gfwmnhkl-gromacs-2018.2/bin/gmx-completion-gmx.bash
post-installation fixup
gzipping man pages under /nix/store/m5x025lpwhwq7dcbwms65fn3gfwmnhkl-gromacs-2018.2/share/man/
strip is /nix/store/7ddbq63v97nk8gkbf7gcsfmby37h6gbl-cctools-binutils-darwin/bin/strip
stripping (with command strip and flags -S) in /nix/store/m5x025lpwhwq7dcbwms65fn3gfwmnhkl-gromacs-2018.2/lib  /nix/store/m5x025lpwhwq7dcbwms65fn3gfwmnhkl-gromacs-2018.2/bin
patching script interpreter paths in /nix/store/m5x025lpwhwq7dcbwms65fn3gfwmnhkl-gromacs-2018.2

@xeji xeji merged commit d4f62f6 into NixOS:master Jun 27, 2018
@r-ryantm r-ryantm deleted the auto-update/gromacs branch September 6, 2018 13:23
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