73 lines
1.8 KiB
Nix
73 lines
1.8 KiB
Nix
{
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lib,
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buildPythonPackage,
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fetchgit,
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cmake,
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pkgconfig,
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python,
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mpi ? null,
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}:
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let
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components = {
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cgcmm = true;
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depreciated = true;
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hpmc = true;
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md = true;
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metal = true;
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};
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onOffBool = b: if b then "ON" else "OFF";
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withMPI = (mpi != null);
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in
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buildPythonPackage rec {
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version = "2.3.4";
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pname = "hoomd-blue";
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pyproject = false; # Built with cmake
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src = fetchgit {
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url = "https://bitbucket.org/glotzer/hoomd-blue";
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rev = "v${version}";
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sha256 = "0in49f1dvah33nl5n2qqbssfynb31pw1ds07j8ziryk9w252j1al";
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};
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passthru = {
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inherit components mpi;
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};
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nativeBuildInputs = [
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cmake
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pkgconfig
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];
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buildInputs = lib.optionals withMPI [ mpi ];
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propagatedBuildInputs = [ python.pkgs.numpy ] ++ lib.optionals withMPI [ python.pkgs.mpi4py ];
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dontAddPrefix = true;
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cmakeFlags = [
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"-DENABLE_MPI=${onOffBool withMPI}"
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"-DBUILD_CGCMM=${onOffBool components.cgcmm}"
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"-DBUILD_DEPRECIATED=${onOffBool components.depreciated}"
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"-DBUILD_HPMC=${onOffBool components.hpmc}"
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"-DBUILD_MD=${onOffBool components.md}"
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"-DBUILD_METAL=${onOffBool components.metal}"
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];
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preConfigure = ''
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# Since we can't expand $out in `cmakeFlags`
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cmakeFlags="$cmakeFlags -DCMAKE_INSTALL_PREFIX=$out/${python.sitePackages}"
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'';
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# tests fail but have tested that package runs properly
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doCheck = false;
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checkTarget = "test";
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meta = with lib; {
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homepage = "http://glotzerlab.engin.umich.edu/hoomd-blue/";
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description = "HOOMD-blue is a general-purpose particle simulation toolkit";
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license = licenses.bsdOriginal;
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platforms = [ "x86_64-linux" ];
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maintainers = [ ];
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# Has compilation errors since some dependencies got updated, will probably
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# be fixed if updated by itself to the latest version.
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broken = true;
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};
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}
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