pyrox.dev
python3Packages.mdtraj: 1.10.0 -> 1.10.2 (#377454)
authored by OTABI Tomoya and committed by GitHub 5ecc399b 9d17dcd2
+11
-8
pkgs/development/python-modules/mdtraj/default.nix
+11
-8
pkgs/development/python-modules/mdtraj/default.nix
···
6
fetchpatch,
7
llvmPackages,
8
zlib,
9
-
cython_0,
10
-
oldest-supported-numpy,
11
setuptools,
12
wheel,
13
astunparse,
14
-
numpy,
15
packaging,
16
pyparsing,
17
scipy,
···
26
27
buildPythonPackage rec {
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pname = "mdtraj";
29
-
version = "1.10.0";
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pyproject = true;
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src = fetchFromGitHub {
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owner = "mdtraj";
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repo = "mdtraj";
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tag = version;
36
-
hash = "sha256-hNv/humEZOX4W7cOlJSAodk9pIi18//YJNSWNiEFiVg=";
37
};
38
39
patches = [
···
48
];
49
50
build-system = [
51
-
cython_0
52
-
oldest-supported-numpy
53
setuptools
54
wheel
55
];
56
57
buildInputs = [ zlib ] ++ lib.optionals stdenv.cc.isClang [ llvmPackages.openmp ];
58
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dependencies = [
60
-
astunparse
61
numpy
62
packaging
63
pyparsing
···
84
# require network access
85
"test_pdb_from_url"
86
"test_1vii_url_and_gz"
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# fail due to data race
89
"test_read_atomindices_1"
···
6
fetchpatch,
7
llvmPackages,
8
zlib,
9
+
cython,
10
+
numpy,
11
setuptools,
12
+
versioneer,
13
wheel,
14
astunparse,
15
+
netcdf4,
16
packaging,
17
pyparsing,
18
scipy,
···
27
28
buildPythonPackage rec {
29
pname = "mdtraj";
30
+
version = "1.10.2";
31
pyproject = true;
32
33
src = fetchFromGitHub {
34
owner = "mdtraj";
35
repo = "mdtraj";
36
tag = version;
37
+
hash = "sha256-0hSMKrY3p29IUmMuLsNUK4s/AM5zCzAh6Udg/xbeky0=";
38
};
39
40
patches = [
···
49
];
50
51
build-system = [
52
+
cython
53
+
numpy
54
setuptools
55
+
versioneer
56
wheel
57
];
58
59
buildInputs = [ zlib ] ++ lib.optionals stdenv.cc.isClang [ llvmPackages.openmp ];
60
61
dependencies = [
62
+
netcdf4
63
numpy
64
packaging
65
pyparsing
···
86
# require network access
87
"test_pdb_from_url"
88
"test_1vii_url_and_gz"
89
+
"test_3"
90
91
# fail due to data race
92
"test_read_atomindices_1"