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rmsd: init at 1.5.1 #214936

Merged
merged 1 commit into from
Feb 6, 2023
Merged

rmsd: init at 1.5.1 #214936

merged 1 commit into from
Feb 6, 2023

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sheepforce
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Description of changes

Adds the python package RMSD, used to calculate alignment of coordinate sets. Part of the ongoing effort to upstream packages from NixOS-QChem, see Nix-QChem/NixOS-QChem#146

Things done
  • Built on platform(s)
    • x86_64-linux
    • aarch64-linux
    • x86_64-darwin
    • aarch64-darwin
  • For non-Linux: Is sandbox = true set in nix.conf? (See Nix manual)
  • Tested, as applicable:
  • Tested compilation of all packages that depend on this change using nix-shell -p nixpkgs-review --run "nixpkgs-review rev HEAD". Note: all changes have to be committed, also see nixpkgs-review usage
  • Tested basic functionality of all binary files (usually in ./result/bin/)
  • 23.05 Release Notes (or backporting 22.11 Release notes)
    • (Package updates) Added a release notes entry if the change is major or breaking
    • (Module updates) Added a release notes entry if the change is significant
    • (Module addition) Added a release notes entry if adding a new NixOS module
    • (Release notes changes) Ran nixos/doc/manual/md-to-db.sh to update generated release notes
  • Fits CONTRIBUTING.md.

@sheepforce sheepforce self-assigned this Feb 6, 2023
@ofborg ofborg bot added 8.has: package (new) This PR adds a new package 11.by: package-maintainer This PR was created by the maintainer of the package it changes 10.rebuild-darwin: 0 This PR does not cause any packages to rebuild on Darwin 10.rebuild-linux: 1-10 labels Feb 6, 2023
@markuskowa
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@GrahamcOfBorg build python3Packages.rmsd

@markuskowa markuskowa merged commit 6377dcb into NixOS:master Feb 6, 2023
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6.topic: python 8.has: package (new) This PR adds a new package 10.rebuild-darwin: 0 This PR does not cause any packages to rebuild on Darwin 10.rebuild-linux: 1-10 11.by: package-maintainer This PR was created by the maintainer of the package it changes
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2 participants