66 lines
1.1 KiB
Nix
66 lines
1.1 KiB
Nix
{ lib
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, buildPythonPackage
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, cython
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, datamodeldict
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, fetchFromGitHub
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, matplotlib
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, numericalunits
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, numpy
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, pandas
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, potentials
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, pytest
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, pythonOlder
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, scipy
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, toolz
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, xmltodict
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, python
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}:
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buildPythonPackage rec {
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version = "1.4.2";
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pname = "atomman";
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format = "setuptools";
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disabled = pythonOlder "3.6";
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src = fetchFromGitHub {
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owner = "usnistgov";
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repo = "atomman";
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rev = "v${version}";
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sha256 = "sha256-Kq4mDykYf74ylWw2golxc81CYKGokXro64YUsFctLmk=";
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};
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propagatedBuildInputs = [
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cython
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datamodeldict
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matplotlib
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numericalunits
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numpy
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pandas
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potentials
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scipy
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toolz
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xmltodict
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];
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checkInputs = [
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pytest
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];
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checkPhase = ''
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# pytestCheckHook doesn't work
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py.test tests -k "not test_rootdir and not test_version \
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and not test_atomic_mass and not imageflags"
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'';
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pythonImportsCheck = [
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"atomman"
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];
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meta = with lib; {
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description = "Atomistic Manipulation Toolkit";
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homepage = "https://github.com/usnistgov/atomman/";
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license = licenses.mit;
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maintainers = with maintainers; [ costrouc ];
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};
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}
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