tjh.dev
1{ stdenv, buildPythonPackage, fetchFromGitHub, isPy27
2, cython
3, datamodeldict
4, matplotlib
5, numericalunits
6, numpy
7, pandas
8, pytest
9, scipy
10, toolz
11, xmltodict
12}:
13
14buildPythonPackage rec {
15 version = "1.3.0";
16 pname = "atomman";
17 disabled = isPy27;
18
19 src = fetchFromGitHub {
20 owner = "usnistgov";
21 repo = "atomman";
22 rev = "v${version}";
23 sha256 = "09pfykd96wmw00s3kgabghykjn8b4yjml4ybpi7kwy7ygdmzcx51";
24 };
25
26 checkInputs = [ pytest ];
27 propagatedBuildInputs = [ xmltodict datamodeldict numpy matplotlib scipy pandas cython numericalunits toolz ];
28
29 checkPhase = ''
30 py.test tests -k 'not test_atomic'
31 '';
32
33 meta = with stdenv.lib; {
34 homepage = "https://github.com/usnistgov/atomman/";
35 description = "Atomistic Manipulation Toolkit";
36 license = licenses.mit;
37 maintainers = [ maintainers.costrouc ];
38 };
39}