tjh.dev
Merge pull request #146276 from fabaff/bump-atomman
python3Packages.atomman: 1.3.0 -> 1.4.2
authored by
Fabian Affolter
and committed by
GitHub
4f6f30ff
701428e9
+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
}:
13
18
14
19
buildPythonPackage rec {
15
-
version = "1.3.0";
20
+
version = "1.4.2";
16
21
pname = "atomman";
17
-
disabled = isPy27;
22
+
format = "setuptools";
23
+
24
+
disabled = pythonOlder "3.6";
18
25
19
26
src = fetchFromGitHub {
20
27
owner = "usnistgov";
21
-
repo = "atomman";
28
+
repo = "atomman";
22
29
rev = "v${version}";
23
-
sha256 = "09pfykd96wmw00s3kgabghykjn8b4yjml4ybpi7kwy7ygdmzcx51";
30
+
sha256 = "sha256-Kq4mDykYf74ylWw2golxc81CYKGokXro64YUsFctLmk=";
24
31
};
25
32
26
-
checkInputs = [ pytest ];
27
-
propagatedBuildInputs = [ xmltodict datamodeldict numpy matplotlib scipy pandas cython numericalunits toolz ];
33
+
propagatedBuildInputs = [
34
+
cython
35
+
datamodeldict
36
+
matplotlib
37
+
numericalunits
38
+
numpy
39
+
pandas
40
+
potentials
41
+
scipy
42
+
toolz
43
+
xmltodict
44
+
];
45
+
46
+
checkInputs = [
47
+
pytest
48
+
];
28
49
29
50
checkPhase = ''
30
-
py.test tests -k 'not test_atomic'
51
+
# pytestCheckHook doesn't work
52
+
py.test tests -k "not test_rootdir and not test_version \
53
+
and not test_atomic_mass and not imageflags"
31
54
'';
32
55
56
+
pythonImportsCheck = [
57
+
"atomman"
58
+
];
59
+
33
60
meta = with lib; {
61
+
description = "Atomistic Manipulation Toolkit";
34
62
homepage = "https://github.com/usnistgov/atomman/";
35
-
description = "Atomistic Manipulation Toolkit";
36
63
license = licenses.mit;
37
-
maintainers = [ maintainers.costrouc ];
64
+
maintainers = with maintainers; [ costrouc ];
38
65
};
39
66
}
+44
pkgs/development/python-modules/cdcs/default.nix
+44
pkgs/development/python-modules/cdcs/default.nix
···
1
+
{ lib
2
+
, buildPythonPackage
3
+
, fetchFromGitHub
4
+
, numpy
5
+
, pandas
6
+
, pytestCheckHook
7
+
, pythonOlder
8
+
, requests
9
+
}:
10
+
11
+
buildPythonPackage rec {
12
+
version = "0.1.5";
13
+
pname = "cdcs";
14
+
format = "setuptools";
15
+
16
+
disabled = pythonOlder "3.6";
17
+
18
+
src = fetchFromGitHub {
19
+
owner = "usnistgov";
20
+
repo = "pycdcs";
21
+
rev = "v${version}";
22
+
sha256 = "0sd0s0mka2bvpxxiz98cjc2h5ncsb7d03af1q3w9w8pmvfsgj7pc";
23
+
};
24
+
25
+
propagatedBuildInputs = [
26
+
numpy
27
+
pandas
28
+
requests
29
+
];
30
+
31
+
# Project has no tests
32
+
doCheck = false;
33
+
34
+
pythonImportsCheck = [
35
+
"cdcs"
36
+
];
37
+
38
+
meta = with lib; {
39
+
description = "Python client for performing REST calls to configurable data curation system (CDCS) databases";
40
+
homepage = "https://github.com/usnistgov/pycdcs";
41
+
license = licenses.mit;
42
+
maintainers = with maintainers; [ fab ];
43
+
};
44
+
}
+58
pkgs/development/python-modules/potentials/default.nix
+58
pkgs/development/python-modules/potentials/default.nix
···
1
+
{ lib
2
+
, buildPythonPackage
3
+
, fetchPypi
4
+
, ipywidgets
5
+
, cdcs
6
+
, bibtexparser
7
+
, habanero
8
+
, pandas
9
+
, requests
10
+
, numpy
11
+
, matplotlib
12
+
, unidecode
13
+
, datamodeldict
14
+
, xmltodict
15
+
, pytestCheckHook
16
+
, pythonOlder
17
+
}:
18
+
19
+
buildPythonPackage rec {
20
+
version = "0.3.1";
21
+
pname = "potentials";
22
+
format = "setuptools";
23
+
24
+
disabled = pythonOlder "3.7";
25
+
26
+
src = fetchPypi {
27
+
inherit pname version;
28
+
sha256 = "02l1rav5jdfsb00byxbswyhqdnjljp9y7g4ddn4mivzi7x39qa52";
29
+
};
30
+
31
+
propagatedBuildInputs = [
32
+
ipywidgets
33
+
cdcs
34
+
bibtexparser
35
+
habanero
36
+
pandas
37
+
requests
38
+
numpy
39
+
matplotlib
40
+
unidecode
41
+
datamodeldict
42
+
xmltodict
43
+
];
44
+
45
+
# Project has no tests
46
+
doCheck = false;
47
+
48
+
pythonImportsCheck = [
49
+
"potentials"
50
+
];
51
+
52
+
meta = with lib; {
53
+
description = "Python API database tools for accessing the NIST Interatomic Potentials Repository";
54
+
homepage = "https://github.com/usnistgov/potentials";
55
+
license = licenses.mit;
56
+
maintainers = with maintainers; [ fab ];
57
+
};
58
+
}
+4
pkgs/top-level/python-packages.nix
+4
pkgs/top-level/python-packages.nix
···
1413
1413
1414
1414
cchardet = callPackage ../development/python-modules/cchardet { };
1415
1415
1416
+
cdcs = callPackage ../development/python-modules/cdcs { };
1417
+
1416
1418
celery = callPackage ../development/python-modules/celery { };
1417
1419
1418
1420
cement = callPackage ../development/python-modules/cement { };
···
5925
5927
postorius = callPackage ../servers/mail/mailman/postorius.nix { };
5926
5928
5927
5929
pot = callPackage ../development/python-modules/pot { };
5930
+
5931
+
potentials = callPackage ../development/python-modules/potentials { };
5928
5932
5929
5933
potr = callPackage ../development/python-modules/potr { };
5930
5934