pyrox.dev
1{
2 lib,
3 buildPythonPackage,
4 fetchPypi,
5 fetchFromGitHub,
6
7 # build-system
8 setuptools,
9
10 # dependencies
11 bibtexparser,
12 cdcs,
13 datamodeldict,
14 habanero,
15 ipywidgets,
16 lxml,
17 matplotlib,
18 numpy,
19 pandas,
20 requests,
21 scipy,
22 unidecode,
23 xmltodict,
24 yabadaba,
25}:
26
27buildPythonPackage rec {
28 pname = "potentials";
29 version = "0.4.1";
30 pyproject = true;
31
32 src = fetchFromGitHub {
33 owner = "usnistgov";
34 repo = "potentials";
35 tag = "v${version}";
36 hash = "sha256-R6LGRmi6xeNp81qylXBAVdL62/SN87TvuyRqueQD6DA=";
37 };
38
39 build-system = [ setuptools ];
40
41 dependencies = [
42 bibtexparser
43 cdcs
44 datamodeldict
45 habanero
46 ipywidgets
47 lxml
48 matplotlib
49 numpy
50 pandas
51 requests
52 scipy
53 unidecode
54 xmltodict
55 yabadaba
56 ];
57
58 # Project has no tests
59 doCheck = false;
60
61 pythonImportsCheck = [ "potentials" ];
62
63 meta = {
64 description = "Python API database tools for accessing the NIST Interatomic Potentials Repository";
65 homepage = "https://github.com/usnistgov/potentials";
66 changelog = "https://github.com/usnistgov/potentials/releases/tag/v${version}";
67 license = lib.licenses.mit;
68 maintainers = with lib.maintainers; [ fab ];
69 };
70}