40 lines
802 B
Nix
40 lines
802 B
Nix
{ stdenv
|
|
, buildPythonPackage
|
|
, fetchPypi
|
|
, xmltodict
|
|
, datamodeldict
|
|
, numpy
|
|
, matplotlib
|
|
, scipy
|
|
, pandas
|
|
, cython
|
|
, numericalunits
|
|
, pytest
|
|
}:
|
|
|
|
buildPythonPackage rec {
|
|
version = "1.2.3";
|
|
pname = "atomman";
|
|
|
|
src = fetchPypi {
|
|
inherit pname version;
|
|
sha256 = "9eb6acc5497263cfa89be8d0f383a9a69f0726b4ac6798c1b1d96f26705ec09c";
|
|
};
|
|
|
|
checkInputs = [ pytest ];
|
|
propagatedBuildInputs = [ xmltodict datamodeldict numpy matplotlib scipy pandas cython numericalunits ];
|
|
|
|
# tests not included with Pypi release
|
|
doCheck = false;
|
|
|
|
checkPhase = ''
|
|
py.test tests
|
|
'';
|
|
|
|
meta = with stdenv.lib; {
|
|
homepage = https://github.com/usnistgov/atomman/;
|
|
description = "Atomistic Manipulation Toolkit";
|
|
license = licenses.mit;
|
|
maintainers = [ maintainers.costrouc ];
|
|
};
|
|
}
|