hoomd-blue: init at 2.3.4
This commit is contained in:
parent
397e15f89e
commit
ae66a9244b
67
pkgs/development/python-modules/hoomd-blue/default.nix
Normal file
67
pkgs/development/python-modules/hoomd-blue/default.nix
Normal file
|
@ -0,0 +1,67 @@
|
|||
{ 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 ];
|
||||
};
|
||||
|
||||
}
|
|
@ -366,6 +366,10 @@ in {
|
|||
|
||||
hdmedians = callPackage ../development/python-modules/hdmedians { };
|
||||
|
||||
hoomd-blue = toPythonModule (callPackage ../development/python-modules/hoomd-blue {
|
||||
inherit python;
|
||||
});
|
||||
|
||||
httpsig = callPackage ../development/python-modules/httpsig { };
|
||||
|
||||
i3ipc = callPackage ../development/python-modules/i3ipc { };
|
||||
|
|
Loading…
Reference in a new issue