pyrox.dev
lol
python3Packages.atomman: 1.3.0 -> 1.4.2
+37
-10
+37
-10
pkgs/development/python-modules/atomman/default.nix
+37
-10
pkgs/development/python-modules/atomman/default.nix
···
1
-
{ lib, buildPythonPackage, fetchFromGitHub, isPy27
1
+
{ lib
2
+
, buildPythonPackage
2
3
, cython
3
4
, datamodeldict
5
+
, fetchFromGitHub
4
6
, matplotlib
5
7
, numericalunits
6
8
, numpy
7
9
, pandas
10
+
, potentials
8
11
, pytest
12
+
, pythonOlder
9
13
, scipy
10
14
, toolz
11
15
, xmltodict
16
+
, python
12
17
}:
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18
14
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buildPythonPackage rec {
15
-
version = "1.3.0";
20
+
version = "1.4.2";
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pname = "atomman";
17
-
disabled = isPy27;
22
+
format = "setuptools";
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+
24
+
disabled = pythonOlder "3.6";
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25
19
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src = fetchFromGitHub {
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27
owner = "usnistgov";
21
-
repo = "atomman";
28
+
repo = "atomman";
22
29
rev = "v${version}";
23
-
sha256 = "09pfykd96wmw00s3kgabghykjn8b4yjml4ybpi7kwy7ygdmzcx51";
30
+
sha256 = "sha256-Kq4mDykYf74ylWw2golxc81CYKGokXro64YUsFctLmk=";
24
31
};
25
32
26
-
checkInputs = [ pytest ];
27
-
propagatedBuildInputs = [ xmltodict datamodeldict numpy matplotlib scipy pandas cython numericalunits toolz ];
33
+
propagatedBuildInputs = [
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+
cython
35
+
datamodeldict
36
+
matplotlib
37
+
numericalunits
38
+
numpy
39
+
pandas
40
+
potentials
41
+
scipy
42
+
toolz
43
+
xmltodict
44
+
];
45
+
46
+
checkInputs = [
47
+
pytest
48
+
];
28
49
29
50
checkPhase = ''
30
-
py.test tests -k 'not test_atomic'
51
+
# pytestCheckHook doesn't work
52
+
py.test tests -k "not test_rootdir and not test_version \
53
+
and not test_atomic_mass and not imageflags"
31
54
'';
32
55
56
+
pythonImportsCheck = [
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+
"atomman"
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+
];
59
+
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60
meta = with lib; {
61
+
description = "Atomistic Manipulation Toolkit";
34
62
homepage = "https://github.com/usnistgov/atomman/";
35
-
description = "Atomistic Manipulation Toolkit";
36
63
license = licenses.mit;
37
-
maintainers = [ maintainers.costrouc ];
64
+
maintainers = with maintainers; [ costrouc ];
38
65
};
39
66
}