openmm 8.0.0 -> 8.1.0 https://repology.org/project/openmm/versions attrpath: openmm Checking auto update branch... No auto update branch exists [version] [version] updated version and sha256 [rustCrateVersion] [rustCrateVersion] No cargoSha256 or cargoHash found [golangModuleVersion] [golangModuleVersion] Not a buildGoModule package with vendorSha256 or vendorHash [npmDepsVersion] [npmDepsVersion] No npmDepsHash [updateScript] [updateScript] skipping because derivation has no updateScript [quotedUrls] [quotedUrls] nothing found to replace Diff after rewrites: diff --git a/pkgs/development/libraries/science/chemistry/openmm/default.nix b/pkgs/development/libraries/science/chemistry/openmm/default.nix index 349c3be82b96..f86702beaa9d 100644 --- a/pkgs/development/libraries/science/chemistry/openmm/default.nix +++ b/pkgs/development/libraries/science/chemistry/openmm/default.nix @@ -19,13 +19,13 @@ stdenv.mkDerivation rec { pname = "openmm"; - version = "8.0.0"; + version = "8.1.0"; src = fetchFromGitHub { owner = "openmm"; repo = pname; rev = version; - hash = "sha256-89ngeZHdjyL/OoGuQ+F5eaXE1/od0EEfIgw9eKdLtL8="; + hash = "sha256-uNAqjklgBWM2v2z6qu17ZMFO4gn3fsnYPxyGO++UtTw="; }; # "This test is stochastic and may occassionally fail". It does. Successfully finished processing cachix "/nix/store/vygyxkfyknms2z529nh6jdkxr3zg0l2k-openmm-8.1.0" Waiting for OfBorg: https://events.ofborg.org/stats.php's evaluator.messages.waiting = 152 Waiting for OfBorg: https://events.ofborg.org/stats.php's evaluator.messages.waiting = 152 Waiting for OfBorg: https://events.ofborg.org/stats.php's evaluator.messages.waiting = 153 Waiting for OfBorg: https://events.ofborg.org/stats.php's evaluator.messages.waiting = 153 Waiting for OfBorg: https://events.ofborg.org/stats.php's evaluator.messages.waiting = 153 Waiting for OfBorg: https://events.ofborg.org/stats.php's evaluator.messages.waiting = 152 Waiting for OfBorg: https://events.ofborg.org/stats.php's evaluator.messages.waiting = 153 Waiting for OfBorg: https://events.ofborg.org/stats.php's evaluator.messages.waiting = 153 Waiting for OfBorg: https://events.ofborg.org/stats.php's evaluator.messages.waiting = 153 Waiting for OfBorg: https://events.ofborg.org/stats.php's evaluator.messages.waiting = 152 Waiting for OfBorg: https://events.ofborg.org/stats.php's evaluator.messages.waiting = 151 Waiting for OfBorg: https://events.ofborg.org/stats.php's evaluator.messages.waiting = 151 Waiting for OfBorg: https://events.ofborg.org/stats.php's evaluator.messages.waiting = 151 Waiting for OfBorg: https://events.ofborg.org/stats.php's evaluator.messages.waiting = 151 Waiting for OfBorg: https://events.ofborg.org/stats.php's evaluator.messages.waiting = 151 Waiting for OfBorg: https://events.ofborg.org/stats.php's evaluator.messages.waiting = 151 Waiting for OfBorg: https://events.ofborg.org/stats.php's evaluator.messages.waiting = 151 Waiting for OfBorg: https://events.ofborg.org/stats.php's evaluator.messages.waiting = 150 Waiting for OfBorg: https://events.ofborg.org/stats.php's evaluator.messages.waiting = 149 Waiting for OfBorg: https://events.ofborg.org/stats.php's evaluator.messages.waiting = 149 Waiting for OfBorg: https://events.ofborg.org/stats.php's evaluator.messages.waiting = 151 Waiting for OfBorg: https://events.ofborg.org/stats.php's evaluator.messages.waiting = 144 Waiting for OfBorg: https://events.ofborg.org/stats.php's evaluator.messages.waiting = 144 Waiting for OfBorg: https://events.ofborg.org/stats.php's evaluator.messages.waiting = 144 Waiting for OfBorg: https://events.ofborg.org/stats.php's evaluator.messages.waiting = 144 Waiting for OfBorg: https://events.ofborg.org/stats.php's evaluator.messages.waiting = 143 Waiting for OfBorg: https://events.ofborg.org/stats.php's evaluator.messages.waiting = 144 Waiting for OfBorg: https://events.ofborg.org/stats.php's evaluator.messages.waiting = 144 Waiting for OfBorg: https://events.ofborg.org/stats.php's evaluator.messages.waiting = 145 Waiting for OfBorg: https://events.ofborg.org/stats.php's evaluator.messages.waiting = 147 Waiting for OfBorg: https://events.ofborg.org/stats.php's evaluator.messages.waiting = 148 Waiting for OfBorg: https://events.ofborg.org/stats.php's evaluator.messages.waiting = 148 Waiting for OfBorg: https://events.ofborg.org/stats.php's evaluator.messages.waiting = 149 Waiting for OfBorg: https://events.ofborg.org/stats.php's evaluator.messages.waiting = 149 Waiting for OfBorg: https://events.ofborg.org/stats.php's evaluator.messages.waiting = 149 Waiting for OfBorg: https://events.ofborg.org/stats.php's evaluator.messages.waiting = 148 Waiting for OfBorg: https://events.ofborg.org/stats.php's evaluator.messages.waiting = 150 Waiting for OfBorg: https://events.ofborg.org/stats.php's evaluator.messages.waiting = 150 Waiting for OfBorg: https://events.ofborg.org/stats.php's evaluator.messages.waiting = 150 Waiting for OfBorg: https://events.ofborg.org/stats.php's evaluator.messages.waiting = 151 Waiting for OfBorg: https://events.ofborg.org/stats.php's evaluator.messages.waiting = 151 Waiting for OfBorg: https://events.ofborg.org/stats.php's evaluator.messages.waiting = 151 Waiting for OfBorg: https://events.ofborg.org/stats.php's evaluator.messages.waiting = 152 Waiting for OfBorg: https://events.ofborg.org/stats.php's evaluator.messages.waiting = 152 Waiting for OfBorg: https://events.ofborg.org/stats.php's evaluator.messages.waiting = 152 Waiting for OfBorg: https://events.ofborg.org/stats.php's evaluator.messages.waiting = 151 Waiting for OfBorg: https://events.ofborg.org/stats.php's evaluator.messages.waiting = 150 Waiting for OfBorg: https://events.ofborg.org/stats.php's evaluator.messages.waiting = 150 Waiting for OfBorg: https://events.ofborg.org/stats.php's evaluator.messages.waiting = 151 Waiting for OfBorg: https://events.ofborg.org/stats.php's evaluator.messages.waiting = 151 Waiting for OfBorg: https://events.ofborg.org/stats.php's evaluator.messages.waiting = 153 Waiting for OfBorg: https://events.ofborg.org/stats.php's evaluator.messages.waiting = 151 Waiting for OfBorg: https://events.ofborg.org/stats.php's evaluator.messages.waiting = 151 Waiting for OfBorg: https://events.ofborg.org/stats.php's evaluator.messages.waiting = 152 Waiting for OfBorg: https://events.ofborg.org/stats.php's evaluator.messages.waiting = 152 Waiting for OfBorg: https://events.ofborg.org/stats.php's evaluator.messages.waiting = 152 Waiting for OfBorg: https://events.ofborg.org/stats.php's evaluator.messages.waiting = 151 Waiting for OfBorg: https://events.ofborg.org/stats.php's evaluator.messages.waiting = 149 Waiting for OfBorg: https://events.ofborg.org/stats.php's evaluator.messages.waiting = 149 Waiting for OfBorg: https://events.ofborg.org/stats.php's evaluator.messages.waiting = 150 [check][nixpkgs-review] Result of `nixpkgs-review` run on x86_64-linux [1](https://github.com/Mic92/nixpkgs-review)
4 packages failed to build:
1 package built:
Automatic update generated by [nixpkgs-update](https://github.com/ryantm/nixpkgs-update) tools. This update was made based on information from https://repology.org/project/openmm/versions. meta.description for openmm is: Toolkit for molecular simulation using high performance GPU code meta.homepage for openmm is: https://openmm.org/ ###### Updates performed - Version update ###### To inspect upstream changes - [Release on GitHub](https://github.com/openmm/openmm/releases/tag/8.1.0) - [Compare changes on GitHub](https://github.com/openmm/openmm/compare/8.0.0...8.1.0) ###### Impact
Checks done (click to expand) --- - built on NixOS - The tests defined in `passthru.tests`, if any, passed - found 8.1.0 in filename of file in /nix/store/vygyxkfyknms2z529nh6jdkxr3zg0l2k-openmm-8.1.0 ---
Rebuild report (if merged into master) (click to expand) ``` 5 total rebuild path(s) 5 package rebuild(s) First fifty rebuilds by attrpath openmm python310Packages.openmm python310Packages.pdbfixer python311Packages.openmm python311Packages.pdbfixer ```
Instructions to test this update (click to expand) --- Either **download from Cachix**: ``` nix-store -r /nix/store/vygyxkfyknms2z529nh6jdkxr3zg0l2k-openmm-8.1.0 \ --option binary-caches 'https://cache.nixos.org/ https://nix-community.cachix.org/' \ --option trusted-public-keys ' nix-community.cachix.org-1:mB9FSh9qf2dCimDSUo8Zy7bkq5CX+/rkCWyvRCYg3Fs= cache.nixos.org-1:6NCHdD59X431o0gWypbMrAURkbJ16ZPMQFGspcDShjY= ' ``` (The Cachix cache is only trusted for this store-path realization.) For the Cachix download to work, your user must be in the `trusted-users` list or you can use `sudo` since root is effectively trusted. Or, **build yourself**: ``` nix-build -A openmm https://github.com/r-ryantm/nixpkgs/archive/7f3e30039244bb62520aaec571c782bf298c5f25.tar.gz ``` Or: ``` nix build github:r-ryantm/nixpkgs/7f3e30039244bb62520aaec571c782bf298c5f25#openmm ``` After you've downloaded or built it, look at the files and if there are any, run the binaries: ``` ls -la /nix/store/vygyxkfyknms2z529nh6jdkxr3zg0l2k-openmm-8.1.0 ls -la /nix/store/vygyxkfyknms2z529nh6jdkxr3zg0l2k-openmm-8.1.0/bin ``` ---

### Pre-merge build results We have automatically built all packages that will get rebuilt due to this change. This gives evidence on whether the upgrade will break dependent packages. Note sometimes packages show up as _failed to build_ independent of the change, simply because they are already broken on the target branch. Result of `nixpkgs-review` run on x86_64-linux [1](https://github.com/Mic92/nixpkgs-review)
4 packages failed to build:
1 package built:
--- ###### Maintainer pings cc @sheepforce for [testing](https://github.com/ryantm/nixpkgs-update/blob/master/doc/nixpkgs-maintainer-faq.md#r-ryantm-opened-a-pr-for-my-package-what-do-i-do). https://api.github.com/repos/NixOS/nixpkgs/pulls/271431