pyrox.dev
1{
2 lib,
3 stdenv,
4 buildPythonPackage,
5 fetchFromGitHub,
6
7 # build-system
8 hatch-vcs,
9 hatchling,
10
11 # dependencies
12 h5py,
13 numpy,
14 wasserstein,
15
16 # optional-dependencies
17 igraph,
18 scikit-learn,
19 tensorflow,
20
21 # tests
22 pot,
23 pytestCheckHook,
24 tf-keras,
25}:
26
27buildPythonPackage rec {
28 pname = "energyflow";
29 version = "1.4.0";
30 pyproject = true;
31
32 src = fetchFromGitHub {
33 owner = "pkomiske";
34 repo = "EnergyFlow";
35 tag = "v${version}";
36 hash = "sha256-4RzhpeOOty8IaVGByHD+PyeaeWgR7ZF98mSCJYoM9wY=";
37 };
38
39 build-system = [
40 hatch-vcs
41 hatchling
42 ];
43
44 dependencies = [
45 h5py
46 numpy
47 wasserstein
48 ];
49
50 optional-dependencies = {
51 all = [
52 igraph
53 scikit-learn
54 tensorflow
55 ];
56 archs = [
57 scikit-learn
58 tensorflow
59 ];
60 generation = [ igraph ];
61 };
62
63 nativeCheckInputs = [
64 pot
65 pytestCheckHook
66 tf-keras
67 ]
68 ++ lib.flatten (builtins.attrValues optional-dependencies);
69
70 disabledTests = [
71 # Issues with array
72 "test_emd_equivalence"
73 "test_gdim"
74 "test_n_jobs"
75 "test_periodic_phi"
76 ]
77 ++ lib.optionals stdenv.hostPlatform.isDarwin [
78 # RuntimeError: EMDStatus - Infeasible
79 "test_emd_byhand_1_1"
80 "test_emd_return_flow"
81 "test_emde"
82 ];
83
84 pythonImportsCheck = [ "energyflow" ];
85
86 meta = {
87 description = "Python package for the EnergyFlow suite of tools";
88 homepage = "https://energyflow.network/";
89 changelog = "https://github.com/thaler-lab/EnergyFlow/releases/tag/v${version}";
90 license = lib.licenses.gpl3Only;
91 maintainers = with lib.maintainers; [ veprbl ];
92 };
93}