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author | Alyssa Ross <hi@alyssa.is> | 2019-01-07 02:18:36 +0000 |
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committer | Alyssa Ross <hi@alyssa.is> | 2019-01-07 02:18:47 +0000 |
commit | 36f56d99fa0a0765c9f1de4a5f17a9b05830c3f2 (patch) | |
tree | b3faaf573407b32aa645237a4d16b82778a39a92 /nixpkgs/pkgs/development/python-modules/hoomd-blue | |
parent | 4e31070265257dc67d120c27e0f75c2344fdfa9a (diff) | |
parent | abf060725d7614bd3b9f96764262dfbc2f9c2199 (diff) | |
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Add 'nixpkgs/' from commit 'abf060725d7614bd3b9f96764262dfbc2f9c2199'
git-subtree-dir: nixpkgs git-subtree-mainline: 4e31070265257dc67d120c27e0f75c2344fdfa9a git-subtree-split: abf060725d7614bd3b9f96764262dfbc2f9c2199
Diffstat (limited to 'nixpkgs/pkgs/development/python-modules/hoomd-blue')
-rw-r--r-- | nixpkgs/pkgs/development/python-modules/hoomd-blue/default.nix | 67 |
1 files changed, 67 insertions, 0 deletions
diff --git a/nixpkgs/pkgs/development/python-modules/hoomd-blue/default.nix b/nixpkgs/pkgs/development/python-modules/hoomd-blue/default.nix new file mode 100644 index 000000000000..3463f471c5eb --- /dev/null +++ b/nixpkgs/pkgs/development/python-modules/hoomd-blue/default.nix @@ -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 ]; + }; + +} |