42 lines
897 B
Nix
42 lines
897 B
Nix
{ lib, buildPythonPackage, fetchFromGitHub, isPy27
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, h5py
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, matplotlib
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, numpy
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, phonopy
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, pymatgen
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, pytest
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, scipy
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, seekpath
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, spglib
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}:
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buildPythonPackage rec {
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pname = "sumo";
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version = "1.0.9";
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# No tests in Pypi tarball
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src = fetchFromGitHub {
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owner = "SMTG-UCL";
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repo = "sumo";
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rev = "v${version}";
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sha256 = "1zw86qp9ycw2k0anw6pzvwgd3zds0z2cwy0s663zhiv9mnb5hx1n";
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};
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propagatedBuildInputs = [ numpy scipy spglib pymatgen h5py matplotlib seekpath phonopy ];
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checkInputs = [ pytest ];
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checkPhase = ''
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pytest .
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'';
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# tests have type annotations, can only run on 3.5+
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doCheck = (!isPy27);
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meta = with lib; {
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description = "Toolkit for plotting and analysis of ab initio solid-state calculation data";
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homepage = "https://github.com/SMTG-UCL/sumo";
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license = licenses.mit;
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maintainers = with maintainers; [ psyanticy ];
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};
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}
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