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packages.spectroscopy: init
This commit is contained in:
parent
dc354dd6f4
commit
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17
flake.lock
17
flake.lock
@ -1470,6 +1470,7 @@
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"slate": "slate",
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"slate": "slate",
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"sockpp": "sockpp",
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"sockpp": "sockpp",
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"sops-nix": "sops-nix",
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"sops-nix": "sops-nix",
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"spectroscopy": "spectroscopy",
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"sqlite-orm": "sqlite-orm",
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"sqlite-orm": "sqlite-orm",
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"tgbot-cpp": "tgbot-cpp",
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"tgbot-cpp": "tgbot-cpp",
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"v-sim": "v-sim",
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"v-sim": "v-sim",
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@ -1582,6 +1583,22 @@
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"type": "github"
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"type": "github"
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}
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}
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},
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},
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"spectroscopy": {
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"flake": false,
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"locked": {
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"lastModified": 1709899498,
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"narHash": "sha256-xZ3AzNqrL73SPyUtVKGE+GDppou/GoatBrRCYVfiv0s=",
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"owner": "skelton-group",
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"repo": "Phonopy-Spectroscopy",
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"rev": "316fbf4f45e2f8d134acf67374de905c705d7db7",
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"type": "github"
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},
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"original": {
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"owner": "skelton-group",
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"repo": "Phonopy-Spectroscopy",
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"type": "github"
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}
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},
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"sqlite-orm": {
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"sqlite-orm": {
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"flake": false,
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"flake": false,
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"locked": {
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"locked": {
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@ -71,9 +71,10 @@
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hextra = { url = "github:imfing/hextra"; flake = false; };
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hextra = { url = "github:imfing/hextra"; flake = false; };
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nu-scripts = { url = "github:nushell/nu_scripts"; flake = false; };
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nu-scripts = { url = "github:nushell/nu_scripts"; flake = false; };
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py4vasp = { url = "github:vasp-dev/py4vasp"; flake = false; };
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py4vasp = { url = "github:vasp-dev/py4vasp"; flake = false; };
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pocketfft = { url = "github:/mreineck/pocketfft"; flake = false; };
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pocketfft = { url = "github:mreineck/pocketfft"; flake = false; };
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blog = { url = "git+https://git.chn.moe/chn/blog.git"; flake = false; };
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blog = { url = "git+https://git.chn.moe/chn/blog.git"; flake = false; };
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nixos-wallpaper = { url = "git+https://git.chn.moe/chn/nixos-wallpaper.git"; flake = false; };
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nixos-wallpaper = { url = "git+https://git.chn.moe/chn/nixos-wallpaper.git"; flake = false; };
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spectroscopy = { url = "github:skelton-group/Phonopy-Spectroscopy"; flake = false; };
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};
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};
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outputs = inputs: let localLib = import ./flake/lib.nix inputs.nixpkgs.lib; in
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outputs = inputs: let localLib = import ./flake/lib.nix inputs.nixpkgs.lib; in
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@ -87,6 +87,8 @@ inputs:
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[
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[
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phonopy scipy scikit-learn jupyterlab autograd # localPackages.pix2tex
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phonopy scipy scikit-learn jupyterlab autograd # localPackages.pix2tex
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# TODO: broken on python 3.12 tensorflow keras
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# TODO: broken on python 3.12 tensorflow keras
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# for phonopy
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inputs.pkgs.localPackages.spectroscopy
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])];
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])];
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};
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};
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user.sharedModules =
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user.sharedModules =
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@ -102,6 +102,7 @@ inputs: rec
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git-lfs-transfer = inputs.pkgs.callPackage ./git-lfs-transfer.nix { src = inputs.topInputs.git-lfs-transfer; };
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git-lfs-transfer = inputs.pkgs.callPackage ./git-lfs-transfer.nix { src = inputs.topInputs.git-lfs-transfer; };
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py4vasp = inputs.pkgs.callPackage ./py4vasp.nix { src = inputs.topInputs.py4vasp; };
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py4vasp = inputs.pkgs.callPackage ./py4vasp.nix { src = inputs.topInputs.py4vasp; };
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pocketfft = inputs.pkgs.callPackage ./pocketfft.nix { src = inputs.topInputs.pocketfft; };
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pocketfft = inputs.pkgs.callPackage ./pocketfft.nix { src = inputs.topInputs.pocketfft; };
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spectroscopy = inputs.pkgs.callPackage ./spectroscopy.nix { src = inputs.topInputs.spectroscopy; };
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fromYaml = content: builtins.fromJSON (builtins.readFile
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fromYaml = content: builtins.fromJSON (builtins.readFile
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(inputs.pkgs.runCommand "toJSON" {}
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(inputs.pkgs.runCommand "toJSON" {}
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12
packages/spectroscopy.nix
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12
packages/spectroscopy.nix
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@ -0,0 +1,12 @@
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{ src, python3, stdenv }: stdenv.mkDerivation
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{
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name = "spectroscopy";
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phases = [ "installPhase" "fixupPhase" ];
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buildInputs = [ python3 ];
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installPhase =
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''
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mkdir -p $out/${python3.sitePackages}
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cp -r ${src}/lib/spectroscopy $out/${python3.sitePackages}
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cp -r ${src}/scripts $out/bin
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'';
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}
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