pyrox.dev
1{ buildPythonPackage, lib, fetchFromGitHub, numpy, scipy, attrs, cython, nose }:
2
3buildPythonPackage rec {
4 pname = "iodata";
5 version = "0.1.7";
6
7 src = fetchFromGitHub {
8 owner = "theochem";
9 repo = pname;
10 rev = version;
11 hash = "sha256-Qn2xWFxdS12K92DhdHVzYrBjPRV+vYo7Cs27vkeCaxM=";
12 };
13
14 leaveDotGit = true;
15
16 nativeBuildInputs = [ cython nose ];
17 propagatedBuildInputs = [ numpy scipy attrs ];
18
19 pythonImportsCheck = [ "iodata" "iodata.overlap_accel" ];
20 doCheck = false; # Requires roberto or nose and a lenghtly setup to find the cython modules
21
22 meta = with lib; {
23 description = "Python library for reading, writing, and converting computational chemistry file formats and generating input files";
24 homepage = "https://github.com/theochem/iodata";
25 license = licenses.lgpl3Only;
26 maintainers = [ maintainers.sheepforce ];
27 };
28}