39 lines
841 B
Nix
39 lines
841 B
Nix
{ lib, buildPythonPackage, fetchFromGitHub, isPy27
|
|
, cython
|
|
, datamodeldict
|
|
, matplotlib
|
|
, numericalunits
|
|
, numpy
|
|
, pandas
|
|
, pytest
|
|
, scipy
|
|
, toolz
|
|
, xmltodict
|
|
}:
|
|
|
|
buildPythonPackage rec {
|
|
version = "1.3.0";
|
|
pname = "atomman";
|
|
disabled = isPy27;
|
|
|
|
src = fetchFromGitHub {
|
|
owner = "usnistgov";
|
|
repo = "atomman";
|
|
rev = "v${version}";
|
|
sha256 = "09pfykd96wmw00s3kgabghykjn8b4yjml4ybpi7kwy7ygdmzcx51";
|
|
};
|
|
|
|
checkInputs = [ pytest ];
|
|
propagatedBuildInputs = [ xmltodict datamodeldict numpy matplotlib scipy pandas cython numericalunits toolz ];
|
|
|
|
checkPhase = ''
|
|
py.test tests -k 'not test_atomic'
|
|
'';
|
|
|
|
meta = with lib; {
|
|
homepage = "https://github.com/usnistgov/atomman/";
|
|
description = "Atomistic Manipulation Toolkit";
|
|
license = licenses.mit;
|
|
maintainers = [ maintainers.costrouc ];
|
|
};
|
|
}
|