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