Date: Sun, 23 Nov 2025 20:09:14 +0000 From: Yuri Victorovich <yuri@FreeBSD.org> To: ports-committers@FreeBSD.org, dev-commits-ports-all@FreeBSD.org, dev-commits-ports-main@FreeBSD.org Subject: git: 1f331a02c09a - main - science/py-hoomd-blue: update 5.1.0=?utf-8?Q? =E2=86=92 6.0?=.0 Message-ID: <692369ea.2cfbc.5424d97f@gitrepo.freebsd.org>
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The branch main has been updated by yuri: URL: https://cgit.FreeBSD.org/ports/commit/?id=1f331a02c09a923c702a700aeae37748c2f06ac5 commit 1f331a02c09a923c702a700aeae37748c2f06ac5 Author: Yuri Victorovich <yuri@FreeBSD.org> AuthorDate: 2025-11-23 18:23:19 +0000 Commit: Yuri Victorovich <yuri@FreeBSD.org> CommitDate: 2025-11-23 20:09:01 +0000 science/py-hoomd-blue: update 5.1.0 → 6.0.0 Reported by: portscout --- science/py-hoomd-blue/Makefile | 17 ++++++---- science/py-hoomd-blue/distinfo | 22 ++++++------ ..._extern_nano-signal-slot_nano__signal__slot.hpp | 30 ----------------- science/py-hoomd-blue/pkg-plist | 39 +++++++++++++++++++++- 4 files changed, 59 insertions(+), 49 deletions(-) diff --git a/science/py-hoomd-blue/Makefile b/science/py-hoomd-blue/Makefile index ae4a5b71af2e..5fb3d5f92d35 100644 --- a/science/py-hoomd-blue/Makefile +++ b/science/py-hoomd-blue/Makefile @@ -1,6 +1,6 @@ PORTNAME= hoomd-blue DISTVERSIONPREFIX= v -DISTVERSION= 5.1.0 +DISTVERSION= 6.0.0 CATEGORIES= science # physics PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} @@ -20,14 +20,14 @@ USE_GITHUB= yes GH_ACCOUNT= glotzerlab GH_TUPLE= glotzerlab:upp11:0c1fb8dfb4bcdc1c5c4eff9165539b15e70c4360:glotzerlab_upp11/hoomd/extern/upp11 \ - glotzerlab:nano-signal-slot:34223a4a7e97f8e114ef007e5360cf7a71265da3:glotzerlab_nano_signal_slot/hoomd/extern/nano-signal-slot \ + glotzerlab:nano-signal-slot:8d13689:glotzerlab_nano_signal_slot/hoomd/extern/nano-signal-slot \ glotzerlab:quickhull:1ffbc6f884ea1da89e104a5996cf8a726db673d5:glotzerlab_quickhull/hoomd/extern/quickhull \ - glotzerlab:HIP:d211f99eebb3637b6840f310f8797abb25012c18:glotzerlab_HIP/hoomd/extern/HIP \ - glotzerlab:hipCUB:c70e19332a8402049b3359b409e50220a759c42d:glotzerlab_hipCUB/hoomd/extern/hipCUB \ + glotzerlab:HIP:db753e4:glotzerlab_HIP/hoomd/extern/HIP \ + glotzerlab:hipCUB:64d8adf:glotzerlab_hipCUB/hoomd/extern/hipCUB \ mphowardlab:neighbor:ba0f06869b766066a7068852fa3b8c5fa746f71f:mphowardlab_neighbor/hoomd/extern/neighbor \ - mphowardlab:hipper:b6da049a516ada03e4e1b66ca6b4c2c7c9668595:mphowardlab_hipper/hoomd/extern/hipper \ + mphowardlab:hipper:076059b:mphowardlab_hipper/hoomd/extern/hipper \ glotzerlab:hoomd-examples:94a5b52d159bc7c07e2650e31b429cef55384542:glotzerlab_hoomd_examples/sphinx-doc/tutorial \ - glotzerlab:OpenRAND:92dc12a23dff2d0aa3545f749d1c013677b9a87e:glotzerlab_OpenRAND/hoomd/extern/OpenRAND \ + glotzerlab:OpenRAND:92dc12a:glotzerlab_OpenRAND/hoomd/extern/OpenRAND \ mphowardlab:hipper:b6da049a516ada03e4e1b66ca6b4c2c7c9668595:mphowardlab_hipper/hoomd/extern/hipper SHEBANG_GLOB= *.sh @@ -58,7 +58,10 @@ TBB_DESC= Enable support for Threading Building Blocks (TBB) TBB_CMAKE_BOOL= ENABLE_TBB TBB_LIB_DEPENDS= libtbb.so:devel/onetbb -# the test mpi-test_communication requires excessive resources, see https://github.com/glotzerlab/hoomd-blue/issues/1396 +# tests as of 6.0.0: 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 <bsd.port.pre.mk> diff --git a/science/py-hoomd-blue/distinfo b/science/py-hoomd-blue/distinfo index 3348d53d200c..6931b40814ac 100644 --- a/science/py-hoomd-blue/distinfo +++ b/science/py-hoomd-blue/distinfo @@ -1,21 +1,21 @@ -TIMESTAMP = 1740212206 -SHA256 (glotzerlab-hoomd-blue-v5.1.0_GH0.tar.gz) = 292d0297c41eeeaf7b7933bffd9dcd1469ca0c009929a257dac396ecd2bad899 -SIZE (glotzerlab-hoomd-blue-v5.1.0_GH0.tar.gz) = 2780980 +TIMESTAMP = 1763921144 +SHA256 (glotzerlab-hoomd-blue-v6.0.0_GH0.tar.gz) = 10e0c681dbd4195aeba66f6873e273b7859e61e647523d2fb2c1fcd1e635b696 +SIZE (glotzerlab-hoomd-blue-v6.0.0_GH0.tar.gz) = 2789144 SHA256 (glotzerlab-upp11-0c1fb8dfb4bcdc1c5c4eff9165539b15e70c4360_GH0.tar.gz) = 759695139bddae1d8a7cd52c967b856d6debf28fb37ea177f78c4434e2b210a8 SIZE (glotzerlab-upp11-0c1fb8dfb4bcdc1c5c4eff9165539b15e70c4360_GH0.tar.gz) = 21058 -SHA256 (glotzerlab-nano-signal-slot-34223a4a7e97f8e114ef007e5360cf7a71265da3_GH0.tar.gz) = d15030482c82d9e4a99c2f67d8ef23b33cc318dd48ac0f8e804c6d4750f27ff4 -SIZE (glotzerlab-nano-signal-slot-34223a4a7e97f8e114ef007e5360cf7a71265da3_GH0.tar.gz) = 4748 +SHA256 (glotzerlab-nano-signal-slot-8d13689_GH0.tar.gz) = 1f29012e0c211fe5c25714fbec858b8f29c3070b75bac893332b65ed46e3cfaa +SIZE (glotzerlab-nano-signal-slot-8d13689_GH0.tar.gz) = 4752 SHA256 (glotzerlab-quickhull-1ffbc6f884ea1da89e104a5996cf8a726db673d5_GH0.tar.gz) = 55c87e78bf990509ff35e3e039213ca6e3890ce988c2891647d65079696ae3a9 SIZE (glotzerlab-quickhull-1ffbc6f884ea1da89e104a5996cf8a726db673d5_GH0.tar.gz) = 16242 -SHA256 (glotzerlab-HIP-d211f99eebb3637b6840f310f8797abb25012c18_GH0.tar.gz) = badcb27eb7d540a668877dd193aba529755d5f69c8e6411ee495668984640e5c -SIZE (glotzerlab-HIP-d211f99eebb3637b6840f310f8797abb25012c18_GH0.tar.gz) = 898870 -SHA256 (glotzerlab-hipCUB-c70e19332a8402049b3359b409e50220a759c42d_GH0.tar.gz) = f3dbd921ea8c5fe9068d6d9e6e9112c11c7e18488169ce48423d9fdb014536c6 -SIZE (glotzerlab-hipCUB-c70e19332a8402049b3359b409e50220a759c42d_GH0.tar.gz) = 110500 +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 (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-92dc12a23dff2d0aa3545f749d1c013677b9a87e_GH0.tar.gz) = a84657d9ac24083c1aef3d883927d5993270697af69a04f616227f9077eb8e19 -SIZE (glotzerlab-OpenRAND-92dc12a23dff2d0aa3545f749d1c013677b9a87e_GH0.tar.gz) = 298040 +SHA256 (glotzerlab-OpenRAND-92dc12a_GH0.tar.gz) = f760eefd9027ee69a5976954a539a28b9ceb581ba089014cec56f6e72c0f6a7d +SIZE (glotzerlab-OpenRAND-92dc12a_GH0.tar.gz) = 298000 diff --git a/science/py-hoomd-blue/files/patch-hoomd_extern_nano-signal-slot_nano__signal__slot.hpp b/science/py-hoomd-blue/files/patch-hoomd_extern_nano-signal-slot_nano__signal__slot.hpp deleted file mode 100644 index cd3fce241f6d..000000000000 --- a/science/py-hoomd-blue/files/patch-hoomd_extern_nano-signal-slot_nano__signal__slot.hpp +++ /dev/null @@ -1,30 +0,0 @@ -Fix build with LLVM 19 - -/wrkdirs/usr/ports/science/py-hoomd-blue/work/hoomd-blue-4.9.0/hoomd/extern/nano-signal-slot/nano_signal_slot.hpp:46:45: -error: a template argument list is expected after a name prefixed by the template keyword [-Wmissing-template-arg-list-after-template-kw] - 46 | Observer::insert(Delegate::template bind (instance), this); - | ^ -/wrkdirs/usr/ports/science/py-hoomd-blue/work/hoomd-blue-4.9.0/hoomd/extern/nano-signal-slot/nano_signal_slot.hpp:87:45: -error: a template argument list is expected after a name prefixed by the template keyword [-Wmissing-template-arg-list-after-template-kw] - 87 | Observer::remove(Delegate::template bind (instance), this); - ---- hoomd/extern/nano-signal-slot/nano_signal_slot.hpp.orig 2016-07-13 20:06:52 UTC -+++ hoomd/extern/nano-signal-slot/nano_signal_slot.hpp -@@ -43,7 +43,7 @@ class Signal<RT(Args...)> : private Observer - template <typename L> - void connect(L* instance) - { -- Observer::insert(Delegate::template bind (instance), this); -+ Observer::insert(Delegate::bind (instance), this); - } - template <typename L> - void connect(L& instance) -@@ -84,7 +84,7 @@ class Signal<RT(Args...)> : private Observer - template <typename L> - void disconnect(L* instance) - { -- Observer::remove(Delegate::template bind (instance), this); -+ Observer::remove(Delegate::bind (instance), this); - } - template <typename L> - void disconnect(L& instance) diff --git a/science/py-hoomd-blue/pkg-plist b/science/py-hoomd-blue/pkg-plist index 004601c86f0c..6f2f97246186 100644 --- a/science/py-hoomd-blue/pkg-plist +++ b/science/py-hoomd-blue/pkg-plist @@ -57,6 +57,7 @@ lib/cmake/hoomd/hoomd-targets.cmake %%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 @@ -77,6 +78,7 @@ lib/cmake/hoomd/hoomd-targets.cmake %%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 @@ -315,7 +317,7 @@ lib/cmake/hoomd/hoomd-targets.cmake %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/extern/dfftlib/src/dfft_cuda.cuh %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/extern/dfftlib/src/dfft_cuda.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/extern/dfftlib/src/dfft_host.h -%%NO_NOMPI%%%%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/extern/dfftlib/src/dfft_lib_config.h +%%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/extern/dfftlib/src/dfft_lib_config.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/extern/dfftlib/src/dfft_local_fft_config.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/extern/dfftlib/src/mkl_single_interface.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/extern/gsd.h @@ -461,6 +463,7 @@ lib/cmake/hoomd/hoomd-targets.cmake %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/hpmc/PairPotentialOPP.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/hpmc/PairPotentialStep.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/hpmc/PairPotentialUnion.h +%%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/hpmc/PairPotentialZetterling.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/hpmc/ShapeConvexPolygon.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/hpmc/ShapeConvexPolyhedron.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/hpmc/ShapeEllipsoid.h @@ -517,9 +520,11 @@ lib/cmake/hoomd/hoomd-targets.cmake %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/ComputeThermoHMATypes.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/ComputeThermoTypes.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/ConstantForceCompute.h +%%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/ConstantForceComputeGPU.cuh %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/ConstantForceComputeGPU.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/CosineSqAngleForceCompute.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/CosineSqAngleForceComputeGPU.h +%%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/CosineSqAngleForceGPU.cuh %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/CustomForceCompute.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/EvaluatorBondFENE.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/EvaluatorBondHarmonic.h @@ -539,6 +544,8 @@ lib/cmake/hoomd/hoomd-targets.cmake %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/EvaluatorPairExpandedMie.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/EvaluatorPairForceShiftedLJ.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/EvaluatorPairFourier.h +%%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/EvaluatorPairFrictionLJBase.h +%%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/EvaluatorPairFrictionLJVariants.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/EvaluatorPairGB.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/EvaluatorPairGauss.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/EvaluatorPairLJ.h @@ -552,25 +559,37 @@ lib/cmake/hoomd/hoomd-targets.cmake %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/EvaluatorPairTWF.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/EvaluatorPairTable.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/EvaluatorPairWangFrenkel.h +%%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/EvaluatorPairYLZ.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/EvaluatorPairYukawa.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/EvaluatorPairZBL.h +%%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/EvaluatorPairZetterling.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/EvaluatorSpecialPairCoulomb.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/EvaluatorSpecialPairLJ.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/EvaluatorTersoff.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/EvaluatorWalls.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/FIREEnergyMinimizer.h +%%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/FIREEnergyMinimizerGPU.cuh %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/FIREEnergyMinimizerGPU.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/ForceComposite.h +%%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/ForceCompositeGPU.cuh %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/ForceCompositeGPU.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/ForceDistanceConstraint.h +%%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/ForceDistanceConstraintGPU.cuh %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/ForceDistanceConstraintGPU.h +%%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/FrictionPair.h +%%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/FrictionPairGPU.cuh +%%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/FrictionPairGPU.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/HarmonicAngleForceCompute.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/HarmonicAngleForceComputeGPU.h +%%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/HarmonicAngleForceGPU.cuh %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/HarmonicDihedralForceCompute.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/HarmonicDihedralForceComputeGPU.h +%%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/HarmonicDihedralForceGPU.cuh %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/HarmonicImproperForceCompute.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/HarmonicImproperForceComputeGPU.h +%%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/HarmonicImproperForceGPU.cuh %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/HelfrichMeshForceCompute.h +%%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/HelfrichMeshForceComputeGPU.cuh %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/HelfrichMeshForceComputeGPU.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/IntegrationMethodTwoStep.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/IntegratorTwoStep.h @@ -581,28 +600,37 @@ lib/cmake/hoomd/hoomd-targets.cmake %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/ManifoldSphere.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/ManifoldXYPlane.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/ManifoldZCylinder.h +%%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/MeshDynamicBondUpdater.h +%%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/MeshForceCompute.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/MolecularForceCompute.cuh %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/MolecularForceCompute.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/MuellerPlatheFlow.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/MuellerPlatheFlowEnum.h +%%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/MuellerPlatheFlowGPU.cuh %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/MuellerPlatheFlowGPU.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/NeighborList.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/NeighborListBinned.h +%%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/NeighborListGPU.cuh %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/NeighborListGPU.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/NeighborListGPUBinned.h +%%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/NeighborListGPUStencil.cuh %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/NeighborListGPUStencil.h +%%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/NeighborListGPUTree.cuh %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/NeighborListGPUTree.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/NeighborListStencil.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/NeighborListTree.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/OPLSDihedralForceCompute.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/OPLSDihedralForceComputeGPU.h +%%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/OPLSDihedralForceGPU.cuh %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/PPPMForceCompute.h +%%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/PPPMForceComputeGPU.cuh %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/PPPMForceComputeGPU.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/PairModulator.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/PatchEnvelope.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/PeriodicImproper.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/PeriodicImproperForceCompute.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/PeriodicImproperForceComputeGPU.h +%%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/PeriodicImproperForceGPU.cuh %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/PotentialBond.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/PotentialBondGPU.cuh %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/PotentialBondGPU.h @@ -623,6 +651,7 @@ lib/cmake/hoomd/hoomd-targets.cmake %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/PotentialTersoffGPU.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/TableAngleForceCompute.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/TableAngleForceComputeGPU.h +%%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/TableAngleForceGPU.cuh %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/TableDihedralForceCompute.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/TableDihedralForceComputeGPU.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/TriangleAreaConservationMeshForceCompute.h @@ -632,10 +661,14 @@ lib/cmake/hoomd/hoomd-targets.cmake %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/TwoStepBD.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/TwoStepBDGPU.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/TwoStepConstantPressure.h +%%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/TwoStepConstantPressureGPU.cuh +%%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/TwoStepConstantPressureGPU.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/TwoStepConstantVolume.h +%%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/TwoStepConstantVolumeGPU.cuh %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/TwoStepConstantVolumeGPU.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/TwoStepLangevin.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/TwoStepLangevinBase.h +%%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/TwoStepLangevinGPU.cuh %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/TwoStepLangevinGPU.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/TwoStepNVTAlchemy.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/TwoStepRATTLEBD.h @@ -648,6 +681,7 @@ lib/cmake/hoomd/hoomd-targets.cmake %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/TwoStepRATTLENVEGPU.cuh %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/TwoStepRATTLENVEGPU.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/VolumeConservationMeshForceCompute.h +%%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/VolumeConservationMeshForceComputeGPU.cuh %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/VolumeConservationMeshForceComputeGPU.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/VolumeConservationMeshParameters.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/WallData.h @@ -728,6 +762,7 @@ lib/cmake/hoomd/hoomd-targets.cmake %%PYTHON_SITELIBDIR%%/hoomd/md/nlist.py %%PYTHON_SITELIBDIR%%/hoomd/md/pair/__init__.py %%PYTHON_SITELIBDIR%%/hoomd/md/pair/aniso.py +%%PYTHON_SITELIBDIR%%/hoomd/md/pair/friction.py %%PYTHON_SITELIBDIR%%/hoomd/md/pair/pair.py %%PYTHON_SITELIBDIR%%/hoomd/md/pytest/__init__.py %%PYTHON_SITELIBDIR%%/hoomd/md/pytest/aniso_forces_and_energies.json @@ -756,6 +791,7 @@ lib/cmake/hoomd/hoomd-targets.cmake %%PYTHON_SITELIBDIR%%/hoomd/md/pytest/test_kernel_parameters.py %%PYTHON_SITELIBDIR%%/hoomd/md/pytest/test_manifolds.py %%PYTHON_SITELIBDIR%%/hoomd/md/pytest/test_meshpotential.py +%%PYTHON_SITELIBDIR%%/hoomd/md/pytest/test_meshupdater.py %%PYTHON_SITELIBDIR%%/hoomd/md/pytest/test_meta_wall_list.py %%PYTHON_SITELIBDIR%%/hoomd/md/pytest/test_methods.py %%PYTHON_SITELIBDIR%%/hoomd/md/pytest/test_minimize_fire.py @@ -773,6 +809,7 @@ lib/cmake/hoomd/hoomd-targets.cmake %%PYTHON_SITELIBDIR%%/hoomd/md/pytest/test_update_group_dof.py %%PYTHON_SITELIBDIR%%/hoomd/md/pytest/test_wall_data.py %%PYTHON_SITELIBDIR%%/hoomd/md/pytest/test_wall_potential.py +%%PYTHON_SITELIBDIR%%/hoomd/md/pytest/test_ylz.py %%PYTHON_SITELIBDIR%%/hoomd/md/pytest/test_zero_momentum.py %%PYTHON_SITELIBDIR%%/hoomd/md/pytest/true_pair_list.json %%PYTHON_SITELIBDIR%%/hoomd/md/special_pair.pyhome | help
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