diff --git a/flake.lock b/flake.lock index 6c7647d8..a25d8cdc 100644 --- a/flake.lock +++ b/flake.lock @@ -1312,6 +1312,7 @@ "ufo": "ufo", "v-sim": "v-sim", "vaspberry": "vaspberry", + "wannier-tools": "wannier-tools", "winapps": "winapps", "zpp-bits": "zpp-bits" } @@ -1675,6 +1676,22 @@ "type": "github" } }, + "wannier-tools": { + "flake": false, + "locked": { + "lastModified": 1747722126, + "narHash": "sha256-cat1Mjlp7euxt4zaNOsBOVVbMmb+e+4iHdDUeU7PdSw=", + "owner": "CHN-beta", + "repo": "wannier_tools", + "rev": "303cab6a49baf0783e77a6d78647123d43dd12e3", + "type": "github" + }, + "original": { + "owner": "CHN-beta", + "repo": "wannier_tools", + "type": "github" + } + }, "winapps": { "inputs": { "flake-compat": "flake-compat_5", diff --git a/flake.nix b/flake.nix index a64d847c..322bab97 100644 --- a/flake.nix +++ b/flake.nix @@ -75,6 +75,7 @@ fancy-motd = { url = "github:CHN-beta/fancy-motd"; flake = false; }; mac-style = { url = "github:SergioRibera/s4rchiso-plymouth-theme?lfs=1"; flake = false; }; phono3py = { url = "github:phonopy/phono3py"; flake = false; }; + wannier-tools = { url = "github:CHN-beta/wannier_tools"; flake = false; }; }; outputs = inputs: let localLib = import ./flake/lib.nix inputs.nixpkgs.lib; in diff --git a/packages/default.nix b/packages/default.nix index 5016b5ef..946ba8c0 100644 --- a/packages/default.nix +++ b/packages/default.nix @@ -131,6 +131,7 @@ inputs: rec { stdenv = inputs.pkgs.callPackage ./oneapi/stdenv.nix { src = inputs.topInputs.self.src.oneapi; }; }; + wannier-tools = inputs.pkgs.callPackage ./wannier-tools.nix { src = inputs.topInputs.wannier-tools; }; fromYaml = content: builtins.fromJSON (builtins.readFile (inputs.pkgs.runCommand "toJSON" {} diff --git a/packages/wannier-tools.nix b/packages/wannier-tools.nix new file mode 100644 index 00000000..be216d83 --- /dev/null +++ b/packages/wannier-tools.nix @@ -0,0 +1,9 @@ +{ stdenv, src, gfortran, lapack }: stdenv.mkDerivation +{ + name = "wannier-tools"; + inherit src; + nativeBuildInputs = [ gfortran ]; + buildInputs = [ lapack ]; + buildPhase = "cd src; cp Makefile.gfortran Makefile; make"; + installPhase = "mkdir -p $out/bin && cp wt.x $out/bin"; +}