blob: 10cfd173b66de3d207105e76ab981767b93b636f (
plain) (
blame)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
|
{ lib
, buildPythonPackage
, fetchFromBitbucket
, h5py
, termcolor
, pexpect
, jinja2
, sphinxHook
, sphinx-rtd-theme
}:
buildPythonPackage {
pname = "pylion";
version = "0.5.3";
format = "setuptools";
src = fetchFromBitbucket {
owner = "dtrypogeorgos";
repo = "pylion";
# Version is set in setup.cfg, but not in a git tag / bitbucket release
rev = "3e6b96b542b97107c622d66b0be0551c3bd9f948";
hash = "sha256-c0UOv2Vlv9wJ6YW+QdHinhpdaclUh3As5TDvyoRhpSI=";
};
# Docs are not available online, besides the article:
# http://dx.doi.org/10.1016/j.cpc.2020.107187
nativeBuildInputs = [
sphinxHook
sphinx-rtd-theme
];
propagatedBuildInputs = [
h5py
termcolor
pexpect
jinja2
];
pythonImportsCheck = [ "pylion" ];
# Tests fail from some reason - some files seem to be missing from the repo.
doCheck = false;
postInstall = ''
mkdir -p $out/share/doc/$name
cp -r examples $out/share/doc/$name/examples
'';
meta = with lib; {
description = "A LAMMPS wrapper for molecular dynamics simulations of trapped ions";
homepage = "https://bitbucket.org/dtrypogeorgos/pylion";
license = licenses.mit;
maintainers = with maintainers; [ doronbehar ];
};
}
|
