From 6cc866dfec4815737992c83c26e9b57277e66c27 Mon Sep 17 00:00:00 2001
From: chn <chn@chn.moe>
Date: Tue, 4 Jul 2023 19:48:27 +0800
Subject: [PATCH] add python-spectral

---
 localPackages/default.nix          |  1 +
 localPackages/spectral/default.nix | 15 +++++++++++++++
 modules/packages/hpc.nix           |  2 +-
 3 files changed, 17 insertions(+), 1 deletion(-)
 create mode 100644 localPackages/spectral/default.nix

diff --git a/localPackages/default.nix b/localPackages/default.nix
index 219ce533..dc2ec91a 100644
--- a/localPackages/default.nix
+++ b/localPackages/default.nix
@@ -2,5 +2,6 @@
 {
 	typora = callPackage ./typora {};
 	upho = python3Packages.callPackage ./upho {};
+	spectral = python3Packages.callPackage ./spectral {};
 	vesta = callPackage ./vesta {};
 }
diff --git a/localPackages/spectral/default.nix b/localPackages/spectral/default.nix
new file mode 100644
index 00000000..553d5735
--- /dev/null
+++ b/localPackages/spectral/default.nix
@@ -0,0 +1,15 @@
+{
+	lib, fetchPypi, buildPythonPackage,
+	numpy, pillow, wxPython_4_2, matplotlib, ipython, pyopengl
+}: buildPythonPackage rec
+{
+	pname = "spectral";
+	version = "0.23.1";
+	src = fetchPypi
+	{
+		inherit pname version;
+		sha256 = "sha256-4YIic1Je81g7J6lmIm1Vr+CefSmnI2z82LwN+x+Wj8I=";
+	};
+	doCheck = false;
+	propagatedBuildInputs = [ numpy pillow wxPython_4_2 matplotlib ipython pyopengl ];
+}
diff --git a/modules/packages/hpc.nix b/modules/packages/hpc.nix
index f09b7234..78f350c7 100644
--- a/modules/packages/hpc.nix
+++ b/modules/packages/hpc.nix
@@ -6,7 +6,7 @@ inputs:
 		(python3.withPackages (ps: with ps;
 		[
 			phonopy inquirerpy requests tqdm
-			localPackages.upho
+			localPackages.upho localPackages.spectral
 		]))
 		mathematica octave root cling gfortran
 		qchem.quantum-espresso