38 lines
810 B
Nix
38 lines
810 B
Nix
{ buildPythonPackage
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, lib
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, fetchFromGitLab
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, python
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, numpy
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, scipy
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, periodictable
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, fields
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}:
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buildPythonPackage rec {
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pname = "polarizationsolver";
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version = "unstable-2021-11-02";
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src = fetchFromGitLab {
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owner = "reinholdt";
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repo = pname;
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rev = "00424ac4d1862257a55e4b16543f63ace3fe8c22";
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hash = "sha256-LACf8Xw+o/uJ3+PD/DE/o7nwKY7fv3NyYbpjCrTTnBU=";
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};
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propagatedBuildInputs = [
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numpy
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periodictable
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scipy
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];
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nativeCheckInputs = [ fields ];
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pythonImportsCheck = [ "polarizationsolver" ];
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meta = with lib; {
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description = "Multipole moment solver for quantum chemistry and polarisable embedding";
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homepage = "https://gitlab.com/reinholdt/polarizationsolver";
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license = licenses.gpl3Plus;
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maintainers = [ maintainers.sheepforce ];
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};
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}
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