pyrox.dev
1{
2 lib,
3 buildPythonPackage,
4 fetchFromBitbucket,
5 h5py,
6 termcolor,
7 pexpect,
8 jinja2,
9 sphinxHook,
10 sphinx-rtd-theme,
11}:
12
13buildPythonPackage {
14 pname = "pylion";
15 version = "0.5.3";
16 format = "setuptools";
17
18 src = fetchFromBitbucket {
19 owner = "dtrypogeorgos";
20 repo = "pylion";
21 # Version is set in setup.cfg, but not in a git tag / bitbucket release
22 rev = "3e6b96b542b97107c622d66b0be0551c3bd9f948";
23 hash = "sha256-c0UOv2Vlv9wJ6YW+QdHinhpdaclUh3As5TDvyoRhpSI=";
24 };
25
26 # Docs are not available online, besides the article:
27 # http://dx.doi.org/10.1016/j.cpc.2020.107187
28 nativeBuildInputs = [
29 sphinxHook
30 sphinx-rtd-theme
31 ];
32
33 propagatedBuildInputs = [
34 h5py
35 termcolor
36 pexpect
37 jinja2
38 ];
39
40 pythonImportsCheck = [ "pylion" ];
41
42 # Tests fail from some reason - some files seem to be missing from the repo.
43 doCheck = false;
44
45 postInstall = ''
46 mkdir -p $out/share/doc/$name
47 cp -r examples $out/share/doc/$name/examples
48 '';
49
50 meta = with lib; {
51 description = "LAMMPS wrapper for molecular dynamics simulations of trapped ions";
52 homepage = "https://bitbucket.org/dtrypogeorgos/pylion";
53 license = licenses.mit;
54 maintainers = with maintainers; [ doronbehar ];
55 };
56}