pyrox.dev
1{
2 lib,
3 stdenv,
4 fetchgit,
5 cmake,
6 pkgconfig,
7 python,
8 mpi ? null,
9}:
10
11let
12 components = {
13 cgcmm = true;
14 depreciated = true;
15 hpmc = true;
16 md = true;
17 metal = true;
18 };
19 onOffBool = b: if b then "ON" else "OFF";
20 withMPI = (mpi != null);
21in
22stdenv.mkDerivation rec {
23 version = "2.3.4";
24 pname = "hoomd-blue";
25
26 src = fetchgit {
27 url = "https://bitbucket.org/glotzer/hoomd-blue";
28 rev = "v${version}";
29 sha256 = "0in49f1dvah33nl5n2qqbssfynb31pw1ds07j8ziryk9w252j1al";
30 };
31
32 passthru = {
33 inherit components mpi;
34 };
35
36 nativeBuildInputs = [
37 cmake
38 pkgconfig
39 ];
40 buildInputs = lib.optionals withMPI [ mpi ];
41 propagatedBuildInputs = [ python.pkgs.numpy ] ++ lib.optionals withMPI [ python.pkgs.mpi4py ];
42
43 dontAddPrefix = true;
44 cmakeFlags = [
45 "-DENABLE_MPI=${onOffBool withMPI}"
46 "-DBUILD_CGCMM=${onOffBool components.cgcmm}"
47 "-DBUILD_DEPRECIATED=${onOffBool components.depreciated}"
48 "-DBUILD_HPMC=${onOffBool components.hpmc}"
49 "-DBUILD_MD=${onOffBool components.md}"
50 "-DBUILD_METAL=${onOffBool components.metal}"
51 ];
52
53 preConfigure = ''
54 # Since we can't expand $out in `cmakeFlags`
55 cmakeFlags="$cmakeFlags -DCMAKE_INSTALL_PREFIX=$out/${python.sitePackages}"
56 '';
57
58 # tests fail but have tested that package runs properly
59 doCheck = false;
60 checkTarget = "test";
61
62 meta = with lib; {
63 homepage = "http://glotzerlab.engin.umich.edu/hoomd-blue/";
64 description = "HOOMD-blue is a general-purpose particle simulation toolkit";
65 license = licenses.bsdOriginal;
66 platforms = [ "x86_64-linux" ];
67 maintainers = [ ];
68 };
69}