pkgs/development/python-modules/hoomd-blue/default.nix

   1 { lib, stdenv, fetchgit
   2 , cmake, pkgconfig
   3 , python
   4 , mpi ? null
   5 }:
   6
   7 let components = {
   8      cgcmm = true;
   9      depreciated = true;
  10      hpmc = true;
  11      md = true;
  12      metal = true;
  13    };
  14    onOffBool = b: if b then "ON" else "OFF";
  15    withMPI = (mpi != null);
  16 in
  17 stdenv.mkDerivation rec {
  18   version = "2.3.4";
  19   pname = "hoomd-blue";
  20
  21   src = fetchgit {
  22     url = "https://bitbucket.org/glotzer/hoomd-blue";
  23     rev = "v${version}";
  24     sha256 = "0in49f1dvah33nl5n2qqbssfynb31pw1ds07j8ziryk9w252j1al";
  25   };
  26
  27   passthru = {
  28     inherit components mpi;
  29   };
  30
  31   nativeBuildInputs = [ cmake pkgconfig ];
  32   buildInputs = lib.optionals withMPI [ mpi ];
  33   propagatedBuildInputs = [ python.pkgs.numpy ]
  34    ++ lib.optionals withMPI [ python.pkgs.mpi4py ];
  35
  36   dontAddPrefix = true;
  37   cmakeFlags = [
  38        "-DENABLE_MPI=${onOffBool withMPI}"
  39        "-DBUILD_CGCMM=${onOffBool components.cgcmm}"
  40        "-DBUILD_DEPRECIATED=${onOffBool components.depreciated}"
  41        "-DBUILD_HPMC=${onOffBool components.hpmc}"
  42        "-DBUILD_MD=${onOffBool components.md}"
  43        "-DBUILD_METAL=${onOffBool components.metal}"
  44   ];
  45
  46   preConfigure = ''
  47     # Since we can't expand $out in `cmakeFlags`
  48     cmakeFlags="$cmakeFlags -DCMAKE_INSTALL_PREFIX=$out/${python.sitePackages}"
  49   '';
  50
  51   # tests fail but have tested that package runs properly
  52   doCheck = false;
  53   checkTarget = "test";
  54
  55   meta = with lib; {
  56     homepage = "http://glotzerlab.engin.umich.edu/hoomd-blue/";
  57     description = "HOOMD-blue is a general-purpose particle simulation toolkit";
  58     license = licenses.bsdOriginal;
  59     platforms = [ "x86_64-linux" ];
  60     maintainers = [ maintainers.costrouc ];
  61   };
  62
  63 }