diff --git a/science/py-hoomd-blue/Makefile b/science/py-hoomd-blue/Makefile index 782792d9e514..34fe54748f08 100644 --- a/science/py-hoomd-blue/Makefile +++ b/science/py-hoomd-blue/Makefile @@ -1,75 +1,73 @@ PORTNAME= hoomd-blue DISTVERSIONPREFIX= v -DISTVERSION= 6.0.0 -PORTREVISION= 1 +DISTVERSION= 7.0.1 CATEGORIES= science # physics PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} MAINTAINER= yuri@FreeBSD.org COMMENT= Molecular dynamics and Monte Carlo soft matter simulation WWW= https://glotzerlab.engin.umich.edu/hoomd-blue/ \ https://github.com/glotzerlab/hoomd-blue LICENSE= BSD3CLAUSE LICENSE_FILE= ${WRKSRC}/LICENSE BUILD_DEPENDS= pybind11>0:devel/pybind11 USES= cmake:testing compiler:c++17-lang eigen:3 localbase:ldflags python shebangfix # see https://github.com/glotzerlab/hoomd-blue/issues/1204 USE_GITHUB= yes GH_ACCOUNT= glotzerlab GH_TUPLE= glotzerlab:upp11:0c1fb8dfb4bcdc1c5c4eff9165539b15e70c4360:glotzerlab_upp11/hoomd/extern/upp11 \ - glotzerlab:nano-signal-slot:8d13689:glotzerlab_nano_signal_slot/hoomd/extern/nano-signal-slot \ + glotzerlab:nano-signal-slot:8d136893dc78b11c689bc9f48afab49e5de8ab19:glotzerlab_nano_signal_slot/hoomd/extern/nano-signal-slot \ glotzerlab:quickhull:1ffbc6f884ea1da89e104a5996cf8a726db673d5:glotzerlab_quickhull/hoomd/extern/quickhull \ - glotzerlab:HIP:db753e4:glotzerlab_HIP/hoomd/extern/HIP \ - glotzerlab:hipCUB:64d8adf:glotzerlab_hipCUB/hoomd/extern/hipCUB \ + glotzerlab:HIP:db753e4ea7a715afec405117250cecef9e882b33:glotzerlab_HIP/hoomd/extern/HIP \ + glotzerlab:hipCUB:64d8adf32bd48d8723cc7df9e5c970169e2845b5:glotzerlab_hipCUB/hoomd/extern/hipCUB \ mphowardlab:neighbor:ba0f06869b766066a7068852fa3b8c5fa746f71f:mphowardlab_neighbor/hoomd/extern/neighbor \ - mphowardlab:hipper:076059b:mphowardlab_hipper/hoomd/extern/hipper \ - glotzerlab:hoomd-examples:94a5b52d159bc7c07e2650e31b429cef55384542:glotzerlab_hoomd_examples/sphinx-doc/tutorial \ - glotzerlab:OpenRAND:92dc12a:glotzerlab_OpenRAND/hoomd/extern/OpenRAND \ - mphowardlab:hipper:b6da049a516ada03e4e1b66ca6b4c2c7c9668595:mphowardlab_hipper/hoomd/extern/hipper + glotzerlab:hipper:076059b9be58e5dd49f0f65a49ca48f703efa37a:glotzerlab_hipper/hoomd/extern/hipper \ + glotzerlab:hoomd-examples:37066e712ba37a43d76e26f8e1ae829359c06bc5:glotzerlab_hoomd_examples/sphinx-doc/tutorial \ + glotzerlab:OpenRAND:92dc12a23dff2d0aa3545f749d1c013677b9a87e:glotzerlab_OpenRAND/hoomd/extern/OpenRAND SHEBANG_GLOB= *.sh CMAKE_OFF= BUILD_TESTING LDFLAGS+= -lexecinfo OPTIONS_DEFINE= TBB OPTIONS_SINGLE= MPI OPTIONS_SINGLE_MPI= NOMPI MPICH OPENMPI OPTIONS_DEFAULT= MPICH TBB OPTIONS_SUB= yes NOMPI_DESC= Build without parallel processing support NOMPI_CMAKE_ON= -DENABLE_MPI=OFF MPICH_USES= mpi:mpich MPICH_CMAKE_ON= -DENABLE_MPI=ON MPICH_BUILD_DEPENDS= cereal>0:devel/cereal OPENMPI_USES= mpi:openmpi OPENMPI_CMAKE_ON= -DENABLE_MPI=ON OPENMPI_BUILD_DEPENDS= cereal>0:devel/cereal OPENMPI_BROKEN= see https://github.com/glotzerlab/hoomd-blue/issues/1397 TBB_DESC= Enable support for Threading Building Blocks (TBB) TBB_CMAKE_BOOL= ENABLE_TBB TBB_LIB_DEPENDS= libtbb.so:devel/onetbb -# tests as of 6.0.0: 97% tests passed, 2 tests failed out of 67 +# tests as of 7.0.1: 97% tests passed, 2 tests failed out of 67 # The following tests FAILED: # 18 - mpi-test_load_balancer (Failed) # 35 - mpi-test_communication (Failed) .include post-patch: .if ${COMPILER_TYPE} == clang @${REINPLACE_CMD} -e 's|std::unary_function|std::__unary_function|' \ ${WRKSRC}/hoomd/ParticleData.cc .endif .include diff --git a/science/py-hoomd-blue/distinfo b/science/py-hoomd-blue/distinfo index 6931b40814ac..42cc3bd2a013 100644 --- a/science/py-hoomd-blue/distinfo +++ b/science/py-hoomd-blue/distinfo @@ -1,21 +1,21 @@ -TIMESTAMP = 1763921144 -SHA256 (glotzerlab-hoomd-blue-v6.0.0_GH0.tar.gz) = 10e0c681dbd4195aeba66f6873e273b7859e61e647523d2fb2c1fcd1e635b696 -SIZE (glotzerlab-hoomd-blue-v6.0.0_GH0.tar.gz) = 2789144 +TIMESTAMP = 1777475252 +SHA256 (glotzerlab-hoomd-blue-v7.0.1_GH0.tar.gz) = ecc6dea16826ecd415be1fd159014cbda28ddd1ab7f0d23dc6332ccfe6c76ea8 +SIZE (glotzerlab-hoomd-blue-v7.0.1_GH0.tar.gz) = 2811712 SHA256 (glotzerlab-upp11-0c1fb8dfb4bcdc1c5c4eff9165539b15e70c4360_GH0.tar.gz) = 759695139bddae1d8a7cd52c967b856d6debf28fb37ea177f78c4434e2b210a8 SIZE (glotzerlab-upp11-0c1fb8dfb4bcdc1c5c4eff9165539b15e70c4360_GH0.tar.gz) = 21058 -SHA256 (glotzerlab-nano-signal-slot-8d13689_GH0.tar.gz) = 1f29012e0c211fe5c25714fbec858b8f29c3070b75bac893332b65ed46e3cfaa -SIZE (glotzerlab-nano-signal-slot-8d13689_GH0.tar.gz) = 4752 +SHA256 (glotzerlab-nano-signal-slot-8d136893dc78b11c689bc9f48afab49e5de8ab19_GH0.tar.gz) = ffaebda900a1a3b47e23898bcd7745cccb15e72dcd04f4e594c0693ba744c2ed +SIZE (glotzerlab-nano-signal-slot-8d136893dc78b11c689bc9f48afab49e5de8ab19_GH0.tar.gz) = 4748 SHA256 (glotzerlab-quickhull-1ffbc6f884ea1da89e104a5996cf8a726db673d5_GH0.tar.gz) = 55c87e78bf990509ff35e3e039213ca6e3890ce988c2891647d65079696ae3a9 SIZE (glotzerlab-quickhull-1ffbc6f884ea1da89e104a5996cf8a726db673d5_GH0.tar.gz) = 16242 -SHA256 (glotzerlab-HIP-db753e4_GH0.tar.gz) = a9cfe87ef06019891506e633d9ac0b8f52414ac1e5e4342d061963cbecdd1d7c -SIZE (glotzerlab-HIP-db753e4_GH0.tar.gz) = 897698 -SHA256 (glotzerlab-hipCUB-64d8adf_GH0.tar.gz) = 0709bc19af69bfed5c711833138bdede78e4e162e3462c7a60985f1555e0d155 -SIZE (glotzerlab-hipCUB-64d8adf_GH0.tar.gz) = 110322 +SHA256 (glotzerlab-HIP-db753e4ea7a715afec405117250cecef9e882b33_GH0.tar.gz) = 495a6eef64ab88ddad6055f32cf6e3db1d0327c5556599fee86b8768b48bc2a1 +SIZE (glotzerlab-HIP-db753e4ea7a715afec405117250cecef9e882b33_GH0.tar.gz) = 898744 +SHA256 (glotzerlab-hipCUB-64d8adf32bd48d8723cc7df9e5c970169e2845b5_GH0.tar.gz) = b0d04db775786140894795f36908a08102302c6521ade6f26bf2d6b4385b7b34 +SIZE (glotzerlab-hipCUB-64d8adf32bd48d8723cc7df9e5c970169e2845b5_GH0.tar.gz) = 110447 SHA256 (mphowardlab-neighbor-ba0f06869b766066a7068852fa3b8c5fa746f71f_GH0.tar.gz) = 089129a1539d8e993f725017f1aadc60f9e40116e8a65dfbe70b0df9ac2d7cf3 SIZE (mphowardlab-neighbor-ba0f06869b766066a7068852fa3b8c5fa746f71f_GH0.tar.gz) = 49039 -SHA256 (mphowardlab-hipper-b6da049a516ada03e4e1b66ca6b4c2c7c9668595_GH0.tar.gz) = c64a484884eaab3eb9fd8f7b27b144a7bfadfeab101e95d82bc2a6f7e4fb7cec -SIZE (mphowardlab-hipper-b6da049a516ada03e4e1b66ca6b4c2c7c9668595_GH0.tar.gz) = 20228 -SHA256 (glotzerlab-hoomd-examples-94a5b52d159bc7c07e2650e31b429cef55384542_GH0.tar.gz) = f685da65a32566036476a33740b45884bce58798e857d53689d3da20e928436c -SIZE (glotzerlab-hoomd-examples-94a5b52d159bc7c07e2650e31b429cef55384542_GH0.tar.gz) = 5969001 -SHA256 (glotzerlab-OpenRAND-92dc12a_GH0.tar.gz) = f760eefd9027ee69a5976954a539a28b9ceb581ba089014cec56f6e72c0f6a7d -SIZE (glotzerlab-OpenRAND-92dc12a_GH0.tar.gz) = 298000 +SHA256 (glotzerlab-hipper-076059b9be58e5dd49f0f65a49ca48f703efa37a_GH0.tar.gz) = 3fe4f15baf6d8b6cfa394f73a973bd3ebfa3ea82017b6d4c9170352d2a7c110f +SIZE (glotzerlab-hipper-076059b9be58e5dd49f0f65a49ca48f703efa37a_GH0.tar.gz) = 20433 +SHA256 (glotzerlab-hoomd-examples-37066e712ba37a43d76e26f8e1ae829359c06bc5_GH0.tar.gz) = 48b024d5f50d32db987668114db5aafad976c130d0c120b2c88953c4f3cbd50c +SIZE (glotzerlab-hoomd-examples-37066e712ba37a43d76e26f8e1ae829359c06bc5_GH0.tar.gz) = 6567341 +SHA256 (glotzerlab-OpenRAND-92dc12a23dff2d0aa3545f749d1c013677b9a87e_GH0.tar.gz) = a84657d9ac24083c1aef3d883927d5993270697af69a04f616227f9077eb8e19 +SIZE (glotzerlab-OpenRAND-92dc12a23dff2d0aa3545f749d1c013677b9a87e_GH0.tar.gz) = 298040 diff --git a/science/py-hoomd-blue/pkg-plist b/science/py-hoomd-blue/pkg-plist index 6f2f97246186..eac89ef6346b 100644 --- a/science/py-hoomd-blue/pkg-plist +++ b/science/py-hoomd-blue/pkg-plist @@ -1,909 +1,909 @@ lib/cmake/hoomd/FindCUDALibs.cmake lib/cmake/hoomd/HOOMDHIPSetup.cmake lib/cmake/hoomd/hoomd-config-version.cmake lib/cmake/hoomd/hoomd-config.cmake lib/cmake/hoomd/hoomd-macros.cmake lib/cmake/hoomd/hoomd-targets-%%CMAKE_BUILD_TYPE%%.cmake lib/cmake/hoomd/hoomd-targets.cmake %%PYTHON_SITELIBDIR%%/hoomd/__init__.py %%PYTHON_SITELIBDIR%%/hoomd/_hoomd%%PYTHON_TAG%%.so %%PYTHON_SITELIBDIR%%/hoomd/box.py %%PYTHON_SITELIBDIR%%/hoomd/communicator.py %%PYTHON_SITELIBDIR%%/hoomd/conftest.py %%PYTHON_SITELIBDIR%%/hoomd/custom/__init__.py %%PYTHON_SITELIBDIR%%/hoomd/custom/custom_action.py %%PYTHON_SITELIBDIR%%/hoomd/custom/custom_operation.py %%PYTHON_SITELIBDIR%%/hoomd/data/__init__.py %%PYTHON_SITELIBDIR%%/hoomd/data/array.py %%PYTHON_SITELIBDIR%%/hoomd/data/array_view.py %%PYTHON_SITELIBDIR%%/hoomd/data/collections.py %%PYTHON_SITELIBDIR%%/hoomd/data/local_access.py %%PYTHON_SITELIBDIR%%/hoomd/data/local_access_cpu.py %%PYTHON_SITELIBDIR%%/hoomd/data/local_access_gpu.py %%PYTHON_SITELIBDIR%%/hoomd/data/parameterdicts.py %%PYTHON_SITELIBDIR%%/hoomd/data/smart_default.py %%PYTHON_SITELIBDIR%%/hoomd/data/syncedlist.py %%PYTHON_SITELIBDIR%%/hoomd/data/typeconverter.py %%PYTHON_SITELIBDIR%%/hoomd/data/typeparam.py %%PYTHON_SITELIBDIR%%/hoomd/device.py %%PYTHON_SITELIBDIR%%/hoomd/error.py %%PYTHON_SITELIBDIR%%/hoomd/filter/__init__.py %%PYTHON_SITELIBDIR%%/hoomd/filter/all_.py %%PYTHON_SITELIBDIR%%/hoomd/filter/custom.py %%PYTHON_SITELIBDIR%%/hoomd/filter/filter_.py %%PYTHON_SITELIBDIR%%/hoomd/filter/null.py %%PYTHON_SITELIBDIR%%/hoomd/filter/rigid.py %%PYTHON_SITELIBDIR%%/hoomd/filter/set_.py %%PYTHON_SITELIBDIR%%/hoomd/filter/tags.py %%PYTHON_SITELIBDIR%%/hoomd/filter/type_.py %%PYTHON_SITELIBDIR%%/hoomd/hpmc/__init__.py %%PYTHON_SITELIBDIR%%/hoomd/hpmc/_hpmc%%PYTHON_TAG%%.so %%PYTHON_SITELIBDIR%%/hoomd/hpmc/compute.py %%PYTHON_SITELIBDIR%%/hoomd/hpmc/external/__init__.py %%PYTHON_SITELIBDIR%%/hoomd/hpmc/external/external.py %%PYTHON_SITELIBDIR%%/hoomd/hpmc/external/harmonic.py %%PYTHON_SITELIBDIR%%/hoomd/hpmc/external/linear.py %%PYTHON_SITELIBDIR%%/hoomd/hpmc/external/wall.py %%PYTHON_SITELIBDIR%%/hoomd/hpmc/integrate.py %%PYTHON_SITELIBDIR%%/hoomd/hpmc/nec/__init__.py %%PYTHON_SITELIBDIR%%/hoomd/hpmc/nec/integrate.py %%PYTHON_SITELIBDIR%%/hoomd/hpmc/nec/tune.py %%PYTHON_SITELIBDIR%%/hoomd/hpmc/pair/__init__.py %%PYTHON_SITELIBDIR%%/hoomd/hpmc/pair/angular_step.py %%PYTHON_SITELIBDIR%%/hoomd/hpmc/pair/expanded_gaussian.py %%PYTHON_SITELIBDIR%%/hoomd/hpmc/pair/lennard_jones.py %%PYTHON_SITELIBDIR%%/hoomd/hpmc/pair/lj_gauss.py %%PYTHON_SITELIBDIR%%/hoomd/hpmc/pair/opp.py %%PYTHON_SITELIBDIR%%/hoomd/hpmc/pair/pair.py %%PYTHON_SITELIBDIR%%/hoomd/hpmc/pair/step.py %%PYTHON_SITELIBDIR%%/hoomd/hpmc/pair/union.py %%PYTHON_SITELIBDIR%%/hoomd/hpmc/pair/zetterling.py %%PYTHON_SITELIBDIR%%/hoomd/hpmc/pytest/__init__.py %%PYTHON_SITELIBDIR%%/hoomd/hpmc/pytest/conftest.py %%PYTHON_SITELIBDIR%%/hoomd/hpmc/pytest/test_boxmc.py %%PYTHON_SITELIBDIR%%/hoomd/hpmc/pytest/test_boxmc_move_tuner.py %%PYTHON_SITELIBDIR%%/hoomd/hpmc/pytest/test_compute_free_volume.py %%PYTHON_SITELIBDIR%%/hoomd/hpmc/pytest/test_compute_sdf.py %%PYTHON_SITELIBDIR%%/hoomd/hpmc/pytest/test_external_field.py %%PYTHON_SITELIBDIR%%/hoomd/hpmc/pytest/test_external_wall.py %%PYTHON_SITELIBDIR%%/hoomd/hpmc/pytest/test_gca.py %%PYTHON_SITELIBDIR%%/hoomd/hpmc/pytest/test_kt.py %%PYTHON_SITELIBDIR%%/hoomd/hpmc/pytest/test_move_size_tuner.py %%PYTHON_SITELIBDIR%%/hoomd/hpmc/pytest/test_muvt.py %%PYTHON_SITELIBDIR%%/hoomd/hpmc/pytest/test_nec.py %%PYTHON_SITELIBDIR%%/hoomd/hpmc/pytest/test_pair_angular_step.py %%PYTHON_SITELIBDIR%%/hoomd/hpmc/pytest/test_pair_expanded_gaussian.py %%PYTHON_SITELIBDIR%%/hoomd/hpmc/pytest/test_pair_lennard_jones.py %%PYTHON_SITELIBDIR%%/hoomd/hpmc/pytest/test_pair_lj_gauss.py %%PYTHON_SITELIBDIR%%/hoomd/hpmc/pytest/test_pair_opp.py %%PYTHON_SITELIBDIR%%/hoomd/hpmc/pytest/test_pair_step.py %%PYTHON_SITELIBDIR%%/hoomd/hpmc/pytest/test_pair_union.py %%PYTHON_SITELIBDIR%%/hoomd/hpmc/pytest/test_pair_zetterling.py %%PYTHON_SITELIBDIR%%/hoomd/hpmc/pytest/test_quick_compress.py %%PYTHON_SITELIBDIR%%/hoomd/hpmc/pytest/test_scale.py %%PYTHON_SITELIBDIR%%/hoomd/hpmc/pytest/test_shape.py %%PYTHON_SITELIBDIR%%/hoomd/hpmc/pytest/test_shape_updater.py %%PYTHON_SITELIBDIR%%/hoomd/hpmc/pytest/test_shape_utils.py %%PYTHON_SITELIBDIR%%/hoomd/hpmc/pytest/test_small_box_2d.py %%PYTHON_SITELIBDIR%%/hoomd/hpmc/pytest/test_small_box_3d.py +%%PYTHON_SITELIBDIR%%/hoomd/hpmc/pytest/test_translate_move_dimensions.py %%PYTHON_SITELIBDIR%%/hoomd/hpmc/shape_move.py %%PYTHON_SITELIBDIR%%/hoomd/hpmc/tune/__init__.py %%PYTHON_SITELIBDIR%%/hoomd/hpmc/tune/boxmc_move_size.py %%PYTHON_SITELIBDIR%%/hoomd/hpmc/tune/mc_move_tune.py %%PYTHON_SITELIBDIR%%/hoomd/hpmc/tune/move_size.py %%PYTHON_SITELIBDIR%%/hoomd/hpmc/update.py %%PYTHON_SITELIBDIR%%/hoomd/include/HOOMDVersion.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/AABB.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/AABBTree.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/Action.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/Analyzer.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/ArrayView.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/Autotuned.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/Autotuner.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/BondedGroupData.cuh %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/BondedGroupData.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/BoxDim.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/BoxResizeUpdater.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/BoxResizeUpdaterGPU.cuh %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/BoxResizeUpdaterGPU.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/CachedAllocator.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/CellList.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/CellListGPU.cuh %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/CellListGPU.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/CellListStencil.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/ClockSource.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/Communicator.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/CommunicatorGPU.cuh %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/CommunicatorGPU.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/Compute.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/DCDDumpWriter.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/DomainDecomposition.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/ExecutionConfiguration.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/Filesystem.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/ForceCompute.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/ForceConstraint.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/GPUArray.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/GPUFlags.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/GPUVector.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/GSD.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/GSDDequeWriter.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/GSDDumpWriter.h 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