pyrox.dev
1{
2 lib,
3 bibtexparser,
4 buildPythonPackage,
5 cdcs,
6 datamodeldict,
7 fetchPypi,
8 habanero,
9 ipywidgets,
10 lxml,
11 matplotlib,
12 numpy,
13 pandas,
14 pytestCheckHook,
15 pythonOlder,
16 requests,
17 scipy,
18 setuptools,
19 unidecode,
20 xmltodict,
21 yabadaba,
22}:
23
24buildPythonPackage rec {
25 pname = "potentials";
26 version = "0.3.8";
27 pyproject = true;
28
29 disabled = pythonOlder "3.7";
30
31 src = fetchPypi {
32 inherit pname version;
33 hash = "sha256-ZXsqsqsgWntZUOuW1/2KAhsbnienHu6VFctxYkw+GCU=";
34 };
35
36 build-system = [ setuptools ];
37
38 dependencies = [
39 bibtexparser
40 cdcs
41 datamodeldict
42 habanero
43 ipywidgets
44 lxml
45 matplotlib
46 numpy
47 pandas
48 requests
49 scipy
50 unidecode
51 xmltodict
52 yabadaba
53 ];
54
55 # Project has no tests
56 doCheck = false;
57
58 pythonImportsCheck = [ "potentials" ];
59
60 meta = with lib; {
61 description = "Python API database tools for accessing the NIST Interatomic Potentials Repository";
62 homepage = "https://github.com/usnistgov/potentials";
63 changelog = "https://github.com/usnistgov/potentials/releases/tag/v${version}";
64 license = licenses.mit;
65 maintainers = with maintainers; [ fab ];
66 };
67}