From e5f7e1650ea1a0418b3cda5fbb527dd8a912d777 Mon Sep 17 00:00:00 2001 From: Haonan Chen Date: Fri, 2 Jan 2026 13:51:56 +0800 Subject: [PATCH] devices.wlin: add phonopy and vasp --- devices/wlin/default.nix | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/devices/wlin/default.nix b/devices/wlin/default.nix index 1d50f705..bcc10c74 100644 --- a/devices/wlin/default.nix +++ b/devices/wlin/default.nix @@ -5,10 +5,11 @@ let inputs = { inherit (inputs.nixpkgs) lib; topInputs = inputs; }; nixpkgs = { march = "haswell"; nixRoot = "/data/gpfs01/wlin/.nix"; nixos = false; }; }); + python = pkgs.python3.withPackages (ps: with ps; [ phonopy ]); wlin = pkgs.symlinkJoin { name = "wlin"; - paths = with pkgs; [ gnuplot localPackages.vaspkit pv ]; + paths = with pkgs; [ gnuplot localPackages.vaspkit pv python localPackages.vasp.intel ]; postBuild = "echo ${inputs.self.rev or "dirty"} > $out/.version"; passthru = { inherit pkgs; archive = pkgs.closureInfo { rootPaths = [ wlin.drvPath ]; }; }; };