Michael Daniels
126d5152ba
Changelog: https://github.com/glotzerlab/hoomd-blue/blob/v6.0.0/CHANGELOG.rst Diff: https://github.com/glotzerlab/hoomd-blue/compare/refs/tags/v2.3.4...refs/tags/v6.0.0
71 lines
1.7 KiB
Nix
71 lines
1.7 KiB
Nix
{
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lib,
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buildPythonPackage,
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cmake,
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eigen,
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fetchFromGitHub,
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mpi,
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pkgconfig,
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python,
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# true or false to enable/disable; null to use upstream defaults
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withHpmc ? null,
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withMd ? null,
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withMetal ? null,
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withMpcd ? null,
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}:
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let
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optionalCmakeBool = name: value: lib.optionals (value != null) [ (lib.cmakeBool name value) ];
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in
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buildPythonPackage rec {
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version = "6.0.0";
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pname = "hoomd-blue";
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pyproject = false; # Built with cmake
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src = fetchFromGitHub {
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owner = "glotzerlab";
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repo = "hoomd-blue";
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tag = "v${version}";
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hash = "sha256-dmDBAJU6FxMQXuMO+nE1yzOY1m6/x43eH3USBQNVu8A=";
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fetchSubmodules = true;
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};
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nativeBuildInputs = [
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cmake
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pkgconfig
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];
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buildInputs = [
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eigen
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mpi
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];
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dependencies = with python.pkgs; [
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numpy
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mpi4py
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pybind11
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];
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dontAddPrefix = true;
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cmakeFlags = [
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(lib.cmakeBool "BUILD_TESTING" doCheck)
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(lib.cmakeFeature "CMAKE_INSTALL_PREFIX" "${placeholder "out"}/${python.sitePackages}")
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]
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++ optionalCmakeBool "BUILD_MD" withMd
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++ optionalCmakeBool "BUILD_HPMC" withHpmc
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++ optionalCmakeBool "BUILD_METAL" withMetal
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++ optionalCmakeBool "BUILD_MPCD" withMpcd;
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# Tests are performed as part of the installPhase when -DBUILD_TESTING=TRUE,
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# not the checkPhase or installCheckPhase.
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# But leave doCheck here so people can override it as they may expect.
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doCheck = true;
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meta = {
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homepage = "https://glotzerlab.engin.umich.edu/software/";
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description = "HOOMD-blue is a general-purpose particle simulation toolkit";
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changelog = "https://github.com/glotzerlab/hoomd-blue/blob/${src.tag}/CHANGELOG.rst";
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license = lib.licenses.bsd3;
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maintainers = [ ];
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};
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}
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