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freesasa: init at 2.1.2; python312Packages.freesasa: init at 2.2.1 #330184

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merged 2 commits into from
Aug 23, 2024

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Description of changes

FreeSASA is a C library and C++ command line tool for calculating Solvent Accessible Surface Area (SASA) of biomolecules. It is designed to be simple to use with defaults, but allows customization of all parameters of the calculation and provides a few different tools to analyze the results. Python bindings are provided separately (see below).

https://github.com/mittinatten/freesasa

Things done

  • Built on platform(s)
    • x86_64-linux
    • aarch64-linux
    • x86_64-darwin
    • aarch64-darwin
  • For non-Linux: Is sandboxing enabled in nix.conf? (See Nix manual)
    • sandbox = relaxed
    • sandbox = true
  • 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/)
  • 24.11 Release Notes (or backporting 23.11 and 24.05 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
  • Fits CONTRIBUTING.md.

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Comment on lines +4593 to +4595
freesasa = callPackage ../development/python-modules/freesasa {
inherit (pkgs) freesasa;
};
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No, without this, a top-level package will be overwritten with a python library, and we should not pass pkgs as an argument.

@wegank wegank added the 12.approvals: 1 This PR was reviewed and approved by one reputable person label Aug 4, 2024
@natsukium natsukium merged commit 4bee6d2 into NixOS:master Aug 23, 2024
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@natsukium natsukium deleted the freesasa/init branch August 23, 2024 00:21
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Thanks for your review!

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6.topic: python 8.has: package (new) This PR adds a new package 10.rebuild-darwin: 1-10 10.rebuild-darwin: 1 10.rebuild-linux: 1-10 10.rebuild-linux: 1 11.by: package-maintainer This PR was created by the maintainer of the package it changes 12.approvals: 1 This PR was reviewed and approved by one reputable person
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3 participants