pyrox.dev
1{ lib
2, bibtexparser
3, buildPythonPackage
4, cdcs
5, datamodeldict
6, fetchPypi
7, habanero
8, ipywidgets
9, lxml
10, matplotlib
11, numpy
12, pandas
13, pytestCheckHook
14, pythonOlder
15, requests
16, scipy
17, unidecode
18, xmltodict
19, yabadaba
20}:
21
22buildPythonPackage rec {
23 version = "0.3.7";
24 pname = "potentials";
25 format = "setuptools";
26
27 disabled = pythonOlder "3.7";
28
29 src = fetchPypi {
30 inherit pname version;
31 hash = "sha256-vkrNVRf9ntYSpf8nXmAmGjc+sQ4iFllisYHd9s+uQv0=";
32 };
33
34 propagatedBuildInputs = [
35 bibtexparser
36 cdcs
37 datamodeldict
38 habanero
39 ipywidgets
40 lxml
41 matplotlib
42 numpy
43 pandas
44 requests
45 scipy
46 unidecode
47 xmltodict
48 yabadaba
49 ];
50
51 # Project has no tests
52 doCheck = false;
53
54 pythonImportsCheck = [
55 "potentials"
56 ];
57
58 meta = with lib; {
59 description = "Python API database tools for accessing the NIST Interatomic Potentials Repository";
60 homepage = "https://github.com/usnistgov/potentials";
61 license = licenses.mit;
62 maintainers = with maintainers; [ fab ];
63 };
64}