mirror of
https://github.com/NixOS/nixpkgs.git
synced 2024-12-22 23:10:02 +00:00
68 lines
1.8 KiB
Nix
68 lines
1.8 KiB
Nix
|
{ stdenv, buildPythonPackage, fetchgit
|
||
|
|
, cmake, pkgconfig
|
||
|
|
, python
|
||
|
|
, mpi ? null
|
||
|
|
}:
|
||
|
|
|
||
|
|
let components = {
|
||
|
|
cgcmm = true;
|
||
|
|
depreciated = true;
|
||
|
|
hpmc = true;
|
||
|
|
md = true;
|
||
|
|
metal = true;
|
||
|
|
testing = false;
|
||
|
|
};
|
||
|
|
onOffBool = b: if b then "ON" else "OFF";
|
||
|
|
withMPI = (mpi != null);
|
||
|
|
in
|
||
|
|
stdenv.mkDerivation rec {
|
||
|
|
version = "2.3.4";
|
||
|
|
name = "hoomd-blue-${version}";
|
||
|
|
|
||
|
|
src = fetchgit {
|
||
|
|
url = "https://bitbucket.org/glotzer/hoomd-blue";
|
||
|
|
rev = "v${version}";
|
||
|
|
sha256 = "0in49f1dvah33nl5n2qqbssfynb31pw1ds07j8ziryk9w252j1al";
|
||
|
|
};
|
||
|
|
|
||
|
|
passthru = {
|
||
|
|
inherit components mpi;
|
||
|
|
};
|
||
|
|
|
||
|
|
nativeBuildInputs = [ cmake pkgconfig ];
|
||
|
|
buildInputs = stdenv.lib.optionals withMPI [ mpi ];
|
||
|
|
propagatedBuildInputs = [ python.pkgs.numpy ]
|
||
|
|
++ stdenv.lib.optionals withMPI [ python.pkgs.mpi4py ];
|
||
|
|
|
||
|
|
enableParallelBuilding = true;
|
||
|
|
|
||
|
|
dontAddPrefix = true;
|
||
|
|
cmakeFlags = [
|
||
|
|
"-DENABLE_MPI=${onOffBool withMPI}"
|
||
|
|
"-DBUILD_CGCMM=${onOffBool components.cgcmm}"
|
||
|
|
"-DBUILD_DEPRECIATED=${onOffBool components.depreciated}"
|
||
|
|
"-DBUILD_HPMC=${onOffBool components.hpmc}"
|
||
|
|
"-DBUILD_MD=${onOffBool components.md}"
|
||
|
|
"-DBUILD_METAL=${onOffBool components.metal}"
|
||
|
|
"-DBUILD_TESTING=${onOffBool components.testing}"
|
||
|
|
];
|
||
|
|
|
||
|
|
preConfigure = ''
|
||
|
|
# Since we can't expand $out in `cmakeFlags`
|
||
|
|
cmakeFlags="$cmakeFlags -DCMAKE_INSTALL_PREFIX=$out/${python.sitePackages}"
|
||
|
|
'';
|
||
|
|
|
||
|
|
# tests fail but have tested that package runs properly
|
||
|
|
doCheck = false;
|
||
|
|
checkTarget = "test";
|
||
|
|
|
||
|
|
meta = with stdenv.lib; {
|
||
|
|
homepage = http://glotzerlab.engin.umich.edu/hoomd-blue/;
|
||
|
|
description = "HOOMD-blue is a general-purpose particle simulation toolkit";
|
||
|
|
license = licenses.bsdOriginal;
|
||
|
|
platforms = [ "x86_64-linux" ];
|
||
|
|
maintainers = [ maintainers.costrouc ];
|
||
|
|
};
|
||
|
|
|
||
|
|
}
|