mirror of
https://github.com/NixOS/nixpkgs.git
synced 2026-09-15 03:40:22 +00:00
53 lines
862 B
Nix
53 lines
862 B
Nix
{
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stdenv,
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lib,
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gfortran,
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fetchFromGitHub,
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cmake,
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blas,
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lapack,
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python3Packages,
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}:
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assert blas.isILP64 == lapack.isILP64;
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stdenv.mkDerivation (finalAttrs: {
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pname = "mopac";
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version = "23.2.5";
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src = fetchFromGitHub {
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owner = "openmopac";
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repo = "mopac";
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rev = "v${finalAttrs.version}";
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hash = "sha256-/A/JmXdTlnQjTCfuph0jth6p9TA28KQmHwmd/P2L/ao=";
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};
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nativeBuildInputs = [
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gfortran
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cmake
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];
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buildInputs = [
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blas
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lapack
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];
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checkInputs = with python3Packages; [
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python
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numpy
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];
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doCheck = true;
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meta = {
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description = "Semiempirical quantum chemistry";
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homepage = "https://github.com/openmopac/mopac";
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license = lib.licenses.lgpl3Plus;
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platforms = lib.platforms.linux;
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maintainers = with lib.maintainers; [
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sheepforce
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markuskowa
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];
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};
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})
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