blob: be59f3638d913071de799ff82ec83ce7a93bc283 (
plain) (
blame)
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
|
{
lib,
buildPythonPackage,
fetchFromGitHub,
setuptools,
looseversion,
mmtf-python,
nose,
numpy,
pandas,
pytestCheckHook,
pythonOlder,
}:
buildPythonPackage rec {
pname = "biopandas";
version = "0.5.0";
pyproject = true;
src = fetchFromGitHub {
owner = "BioPandas";
repo = "biopandas";
rev = "refs/tags/v${version}";
hash = "sha256-1c78baBBsDyvAWrNx5mZI/Q75wyXv0DAwAdWm3EwX/I=";
};
pythonRelaxDeps = [ "looseversion" ];
build-system = [ setuptools ];
dependencies = [
numpy
pandas
mmtf-python
looseversion
];
# tests rely on nose
# resolved in 0.5.1: https://github.com/BioPandas/biopandas/commit/67aa2f237c70c826cd9ab59d6ae114582da2112f
doCheck = pythonOlder "3.12";
nativeCheckInputs = [
nose
pytestCheckHook
];
disabledTests = [
# require network access
"test_mmcif_pdb_conversion"
"test_fetch_pdb"
"test_write_mmtf_bp"
"test_write_mmtf"
"test_b_factor_shift"
];
pythonImportsCheck = [ "biopandas" ];
meta = {
description = "Working with molecular structures in pandas DataFrames";
homepage = "https://github.com/BioPandas/biopandas";
changelog = "https://github.com/BioPandas/biopandas/releases/tag/${src.rev}";
license = lib.licenses.bsd3;
maintainers = with lib.maintainers; [ natsukium ];
};
}
|