mirror of
https://github.com/NixOS/nixpkgs.git
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33afbf39f6
checkInputs used to be added to nativeBuildInputs. Now we have nativeCheckInputs to do that instead. Doing this treewide change allows to keep hashes identical to before the introduction of nativeCheckInputs.
51 lines
1.3 KiB
Nix
51 lines
1.3 KiB
Nix
{ stdenv
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, lib
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, fetchFromGitHub
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, cmake
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, blas
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# Check Inputs
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, python3
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}:
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stdenv.mkDerivation rec {
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pname = "libcint";
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version = "5.1.6";
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src = fetchFromGitHub {
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owner = "sunqm";
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repo = "libcint";
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rev = "v${version}";
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hash = "sha256-vhi/VzT/WmkfWi+hliN60o7eT+XgDr7T/k8DG3N1moc=";
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};
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nativeBuildInputs = [ cmake ];
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buildInputs = [ blas ];
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cmakeFlags = [
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"-DENABLE_TEST=1"
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"-DQUICK_TEST=1"
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"-DCMAKE_INSTALL_PREFIX=" # ends up double-adding /nix/store/... prefix, this avoids issue
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"-DWITH_RANGE_COULOMB:STRING=1"
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"-DWITH_FORTRAN:STRING=1"
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"-DMIN_EXPCUTOFF:STRING=20"
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];
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strictDeps = true;
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doCheck = true;
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nativeCheckInputs = [ python3.pkgs.numpy ];
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meta = with lib; {
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description = "General GTO integrals for quantum chemistry";
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longDescription = ''
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libcint is an open source library for analytical Gaussian integrals.
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It provides C/Fortran API to evaluate one-electron / two-electron
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integrals for Cartesian / real-spheric / spinor Gaussian type functions.
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'';
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homepage = "http://wiki.sunqm.net/libcint";
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downloadPage = "https://github.com/sunqm/libcint";
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changelog = "https://github.com/sunqm/libcint/blob/master/ChangeLog";
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license = licenses.bsd2;
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maintainers = with maintainers; [ drewrisinger ];
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};
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}
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