pyrox.dev
1{ stdenv, buildPythonPackage, fetchFromGitHub, numpy, scipy, spglib, pymatgen, h5py, matplotlib, seekpath, phonopy }:
2
3buildPythonPackage rec {
4 pname = "sumo";
5 version = "1.0.9";
6
7 # No tests in Pypi tarball
8 src = fetchFromGitHub {
9 owner = "SMTG-UCL";
10 repo = "sumo";
11 rev = "v${version}";
12 sha256 = "1zw86qp9ycw2k0anw6pzvwgd3zds0z2cwy0s663zhiv9mnb5hx1n";
13 };
14
15 propagatedBuildInputs = [ numpy scipy spglib pymatgen h5py matplotlib seekpath phonopy ];
16
17 meta = with stdenv.lib; {
18 description = "Toolkit for plotting and analysis of ab initio solid-state calculation data";
19 homepage = https://github.com/SMTG-UCL/sumo;
20 license = licenses.mit;
21 maintainers = with maintainers; [ psyanticy ];
22 };
23}
24