1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
|
{
lib,
buildPythonPackage,
fetchPypi,
fetchFromGitHub,
# build-system
setuptools,
# dependencies
bibtexparser,
cdcs,
datamodeldict,
habanero,
ipywidgets,
lxml,
matplotlib,
numpy,
pandas,
requests,
scipy,
unidecode,
xmltodict,
yabadaba,
}:
buildPythonPackage rec {
pname = "potentials";
version = "0.4.0";
pyproject = true;
src = fetchFromGitHub {
owner = "usnistgov";
repo = "potentials";
tag = "v${version}";
hash = "sha256-VDA3dQ34kvrs3XMfC0j3T63KrXlmOa/hPvOni/UkgP4=";
};
build-system = [ setuptools ];
dependencies = [
bibtexparser
cdcs
datamodeldict
habanero
ipywidgets
lxml
matplotlib
numpy
pandas
requests
scipy
unidecode
xmltodict
yabadaba
];
# Project has no tests
doCheck = false;
pythonImportsCheck = [ "potentials" ];
meta = {
description = "Python API database tools for accessing the NIST Interatomic Potentials Repository";
homepage = "https://github.com/usnistgov/potentials";
changelog = "https://github.com/usnistgov/potentials/releases/tag/v${version}";
license = lib.licenses.mit;
maintainers = with lib.maintainers; [ fab ];
};
}
|
