6b972ad425
Not given in requirements but apparently an optional dependendency
as the tests are failing without it.
phonopy/qha/eos.py:
try:
from scipy.optimize import leastsq
import scipy
except ImportError:
print("You need to install python-scipy.")
sys.exit(1)
46 lines
807 B
Nix
46 lines
807 B
Nix
{ lib
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, buildPythonPackage
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, fetchPypi
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, numpy
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, pyyaml
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, matplotlib
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, h5py
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, scipy
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, spglib
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, pytestCheckHook
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}:
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buildPythonPackage rec {
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pname = "phonopy";
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version = "2.10.0";
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src = fetchPypi {
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inherit pname version;
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sha256 = "58485042ab7d88fc8b83744d18b2aefd677adb071c8a717ac3710458192743d7";
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};
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propagatedBuildInputs = [
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h5py
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matplotlib
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numpy
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pyyaml
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scipy
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spglib
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];
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checkInputs = [
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pytestCheckHook
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];
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# prevent pytest from importing local directory
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preCheck = ''
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rm -r phonopy
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'';
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meta = with lib; {
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description = "A package for phonon calculations at harmonic and quasi-harmonic levels";
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homepage = "https://atztogo.github.io/phonopy/";
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license = licenses.bsd0;
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maintainers = with maintainers; [ psyanticy ];
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};
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}
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