clean up and packaging upho

flake.nix

@@ -92,7 +92,7 @@
 						{
 							touchix = inputs.touchix.packages."${prev.system}";
 							nix-vscode-extensions = inputs.nix-vscode-extensions.extensions."${prev.system}";
-							localPackages = import ./localPackages { pkgs = inputs.nixpkgs.legacyPackages.${prev.system}; };
+							localPackages = import ./localPackages { pkgs = prev; };
 						} )];
 						config.allowUnfree = true;
 					};

localPackages/default.nix

@@ -1,7 +1,6 @@
 { pkgs }: with pkgs;
 {
-	mathtools = callPackage ./mathtools {};
-	vesta = callPackage ./vesta {};
 	typora = callPackage ./typora {};
-	upho = callPackage ./upho {};
+	upho = python3Packages.callPackage ./upho {};
+	vesta = callPackage ./vesta {};
 }

localPackages/mathtools/default.nix

@@ -1,10 +0,0 @@
-{ lib, buildPythonPackage }: buildPythonPackage rec
-{
-	pname = "mathtools";
-	version = "1.2";
-	src = lib.fetchPypi
-	{
-		inherit pname version;
-		sha256 = lib.fakeSha256;
-	};
-}

localPackages/upho/default.nix

@@ -1,4 +1,4 @@
-{ lib, buildPythonPackage, fetchFromGitHub, numpy, h5py, phonopy, mathtools }: buildPythonPackage rec
+{ lib, fetchFromGitHub, buildPythonPackage, numpy, h5py, phonopy }: buildPythonPackage rec
 {
 	pname = "upho";
 	version = "0.6.6";
@@ -9,5 +9,17 @@
 		rev = "v${version}";
 		sha256 = "sha256-kOUwdXNrBfFglxGzO+qgRuSjiIOMafrgHkrV9blYs9c=";
 	};
-	propagatedBuildInputs = [ numpy h5py phonopy mathtools ];
+	doCheck = false;
+	propagatedBuildInputs =
+	[
+		numpy h5py phonopy
+		# (
+		# 	buildPythonPackage
+		# 	{
+		# 		pname = "group";
+		# 		inherit version;
+		# 		src = "${src}/group";
+		# 	}
+		# )
+	];
 }

modules/packages/hpc.nix

@@ -3,7 +3,11 @@ inputs:
 	config.environment.systemPackages = with inputs.pkgs;
 	[
 		ovito paraview localPackages.vesta # vsim
-		(python3.withPackages (ps: with ps; [ phonopy inquirerpy requests tqdm ]))
+		(python3.withPackages (ps: with ps;
+		[
+			phonopy inquirerpy requests tqdm
+			localPackages.upho
+		]))
 		mathematica octave root
 	];
 }