mirror of
https://github.com/NixOS/nixpkgs.git
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27 lines
771 B
Nix
27 lines
771 B
Nix
{ buildPythonPackage, lib, fetchPypi, numpy
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, pydantic, pint, networkx, pytest-runner, pytest-cov, pytest
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} :
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buildPythonPackage rec {
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pname = "qcelemental";
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version = "0.22.0";
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checkInputs = [ pytest-runner pytest-cov pytest ];
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propagatedBuildInputs = [ numpy pydantic pint networkx ];
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src = fetchPypi {
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inherit pname version;
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sha256 = "1d7fc613fbe30189cfa970a863a5955865b1116ff651d20325c721b6f0ef1f52";
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};
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doCheck = true;
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meta = with lib; {
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description = "Periodic table, physical constants, and molecule parsing for quantum chemistry";
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homepage = "http://docs.qcarchive.molssi.org/projects/qcelemental/en/latest/";
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license = licenses.bsd3;
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platforms = platforms.linux;
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maintainers = [ maintainers.sheepforce ];
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};
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}
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