pyrox.dev
1{
2 lib,
3 buildPythonPackage,
4 fetchFromGitHub,
5 setuptools,
6 looseversion,
7 mmtf-python,
8 numpy,
9 pandas,
10 pytestCheckHook,
11}:
12
13buildPythonPackage rec {
14 pname = "biopandas";
15 version = "0.5.1";
16 pyproject = true;
17
18 src = fetchFromGitHub {
19 owner = "BioPandas";
20 repo = "biopandas";
21 tag = "v${version}";
22 hash = "sha256-dUeGjDDz9VA1NrFLGKy0ebaa+MU4c1tHi5YYkAspLRk=";
23 };
24
25 pythonRelaxDeps = [ "looseversion" ];
26
27 build-system = [ setuptools ];
28
29 dependencies = [
30 numpy
31 pandas
32 mmtf-python
33 looseversion
34 ];
35
36 nativeCheckInputs = [ pytestCheckHook ];
37
38 disabledTests = [
39 # require network access
40 "test_mmcif_pdb_conversion"
41 "test_fetch_pdb"
42 "test_write_mmtf_bp"
43 "test_write_mmtf"
44 "test_b_factor_shift"
45 ];
46
47 pythonImportsCheck = [ "biopandas" ];
48
49 meta = {
50 description = "Working with molecular structures in pandas DataFrames";
51 homepage = "https://github.com/BioPandas/biopandas";
52 changelog = "https://github.com/BioPandas/biopandas/releases/tag/v${version}";
53 license = lib.licenses.bsd3;
54 maintainers = with lib.maintainers; [ natsukium ];
55 };
56}