41 lines
797 B
Nix
41 lines
797 B
Nix
{ lib
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, fetchPypi
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, buildPythonPackage
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, isPy27
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, numpy
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, scipy
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, matplotlib
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, flask
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, pillow
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, psycopg2
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}:
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buildPythonPackage rec {
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pname = "ase";
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version = "3.22.1";
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format = "setuptools";
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disabled = isPy27;
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src = fetchPypi {
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inherit pname version;
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hash = "sha256-AE32sOoEsRFMeQ+t/kXUEl6w5TElxmqTQlr4U9gqtDI=";
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};
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propagatedBuildInputs = [ numpy scipy matplotlib flask pillow psycopg2 ];
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checkPhase = ''
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$out/bin/ase test
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'';
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# tests just hang most likely due to something with subprocesses and cli
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doCheck = false;
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pythonImportsCheck = [ "ase" ];
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meta = with lib; {
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description = "Atomic Simulation Environment";
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homepage = "https://wiki.fysik.dtu.dk/ase/";
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license = licenses.lgpl21Plus;
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maintainers = with maintainers; [ ];
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};
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}
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