tjh.dev
1{ stdenv
2, buildPythonPackage
3, fetchPypi
4, pytest
5, future
6}:
7
8buildPythonPackage rec {
9 version = "0.2.1";
10 pname = "atsim.potentials";
11
12 src = fetchPypi {
13 inherit pname version;
14 sha256 = "2abdec2fb4e8198f4e0e41634ad86625d5356a4a3f1ba1f41568d0697df8f36f";
15 };
16
17 checkInputs = [ pytest ];
18 propagatedBuildInputs = [ future ];
19
20 # tests are not included with release
21 doCheck = false;
22
23 checkPhase = ''
24 py.test
25 '';
26
27 meta = with stdenv.lib; {
28 homepage = https://bitbucket.org/mjdr/atsim_potentials;
29 description = "Provides tools for working with pair and embedded atom method potential models including tabulation routines for DL_POLY and LAMMPS";
30 license = licenses.mit;
31 maintainers = [ maintainers.costrouc ];
32 };
33}