diff --git a/science/py-hoomd-blue/Makefile b/science/py-hoomd-blue/Makefile index 057bd7b5d7bdb..8002611b61adf 100644 --- a/science/py-hoomd-blue/Makefile +++ b/science/py-hoomd-blue/Makefile @@ -1,12 +1,9 @@ PORTNAME= hoomd-blue DISTVERSIONPREFIX= v -DISTVERSION= 3.0.0-beta.13 +DISTVERSION= 3.0.0-beta.14 CATEGORIES= science # physics PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} -PATCH_SITES= https://github.com/${GH_ACCOUNT}/${PORTNAME}/commit/ -PATCHFILES= 3f8ed3abb36aa51c6d91c3ff1c1563ffc6ee37c2.patch:-p1 - MAINTAINER= yuri@FreeBSD.org COMMENT= Molecular dynamics and Monte Carlo soft matter simulation @@ -20,8 +17,7 @@ USES= cmake:testing compiler:c++17-lang eigen:3 localbase:ldflags python sheban USE_GITHUB= yes GH_ACCOUNT= glotzerlab -GH_TUPLE= glotzerlab:libgetar:85de0f2355ea938474452aaf6bb78904a91293ec:glotzerlab_libgetar/hoomd/extern/libgetar \ - glotzerlab:upp11:0c1fb8dfb4bcdc1c5c4eff9165539b15e70c4360:glotzerlab_upp11/hoomd/extern/upp11 \ +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:cub:c3cceac115c072fb63df1836ff46d8c60d9eb304:glotzerlab_cub/hoomd/extern/cub \ glotzerlab:quickhull:a706b5ba0d863b241668038be9eef67afbfaabac:glotzerlab_quickhull/hoomd/extern/quickhull \ @@ -30,7 +26,7 @@ GH_TUPLE= glotzerlab:libgetar:85de0f2355ea938474452aaf6bb78904a91293ec:glotzerla glotzerlab:hipCUB:c70e19332a8402049b3359b409e50220a759c42d:glotzerlab_hipCUB/hoomd/extern/hipCUB \ mphowardlab:neighbor:ba0f06869b766066a7068852fa3b8c5fa746f71f:mphowardlab_neighbor/hoomd/extern/neighbor \ mphowardlab:hipper:b6da049a516ada03e4e1b66ca6b4c2c7c9668595:mphowardlab_hipper/hoomd/extern/hipper \ - glotzerlab:hoomd-examples:5a5e4e11e96397b761e90b27983cc38e2fb1a324:glotzerlab_hoomd_examples/sphinx-doc/tutorial + glotzerlab:hoomd-examples:78174286427a2ec1c23e84015f7b4ba4f5f86d20:glotzerlab_hoomd_examples/sphinx-doc/tutorial SHEBANG_GLOB= *.sh diff --git a/science/py-hoomd-blue/distinfo b/science/py-hoomd-blue/distinfo index 1bb61871e3341..c7ccc2f964f14 100644 --- a/science/py-hoomd-blue/distinfo +++ b/science/py-hoomd-blue/distinfo @@ -1,8 +1,6 @@ -TIMESTAMP = 1642797728 -SHA256 (glotzerlab-hoomd-blue-v3.0.0-beta.13_GH0.tar.gz) = e655a9afc7a8f7fe668552e0ffd9ba4a38884e791afd8ab45d81cc0df614fb40 -SIZE (glotzerlab-hoomd-blue-v3.0.0-beta.13_GH0.tar.gz) = 2525133 -SHA256 (glotzerlab-libgetar-85de0f2355ea938474452aaf6bb78904a91293ec_GH0.tar.gz) = 12815869b556c09f537e3d5ebed830298c61d458a8c967a60f7af607201750ed -SIZE (glotzerlab-libgetar-85de0f2355ea938474452aaf6bb78904a91293ec_GH0.tar.gz) = 2600137 +TIMESTAMP = 1645400314 +SHA256 (glotzerlab-hoomd-blue-v3.0.0-beta.14_GH0.tar.gz) = 1af1716bbd1ac0e23f8c4f684254dadc3e28017405902e0e1fb85e6792a20f53 +SIZE (glotzerlab-hoomd-blue-v3.0.0-beta.14_GH0.tar.gz) = 2480582 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 @@ -21,7 +19,5 @@ SHA256 (mphowardlab-neighbor-ba0f06869b766066a7068852fa3b8c5fa746f71f_GH0.tar.gz 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-5a5e4e11e96397b761e90b27983cc38e2fb1a324_GH0.tar.gz) = 9fe5ed481937103e1d9ffa60f1c6ec46f2e93647f4a88681e132223d5133a951 -SIZE (glotzerlab-hoomd-examples-5a5e4e11e96397b761e90b27983cc38e2fb1a324_GH0.tar.gz) = 5054053 -SHA256 (3f8ed3abb36aa51c6d91c3ff1c1563ffc6ee37c2.patch) = c2e0fecf532d9a73dd42cfce40302d7fe8402ff5d98620b70aca434032c1d0c9 -SIZE (3f8ed3abb36aa51c6d91c3ff1c1563ffc6ee37c2.patch) = 2719 +SHA256 (glotzerlab-hoomd-examples-78174286427a2ec1c23e84015f7b4ba4f5f86d20_GH0.tar.gz) = 4eed7c90835a5171cf61157aa391c610f7c5a7428d08cc05c64c4b88396cedef +SIZE (glotzerlab-hoomd-examples-78174286427a2ec1c23e84015f7b4ba4f5f86d20_GH0.tar.gz) = 5123923 diff --git a/science/py-hoomd-blue/pkg-plist b/science/py-hoomd-blue/pkg-plist index dcad54bf53940..7e6788ee92dcb 100644 --- a/science/py-hoomd-blue/pkg-plist +++ b/science/py-hoomd-blue/pkg-plist @@ -31,11 +31,6 @@ lib/cmake/hoomd/hoomd-targets.cmake %%PYTHON_SITELIBDIR%%/hoomd/data/syncedlist.py %%PYTHON_SITELIBDIR%%/hoomd/data/typeconverter.py %%PYTHON_SITELIBDIR%%/hoomd/data/typeparam.py -%%PYTHON_SITELIBDIR%%/hoomd/dem/__init__.py -%%PYTHON_SITELIBDIR%%/hoomd/dem/_dem%%PYTHON_EXT_SUFFIX%%.so -%%PYTHON_SITELIBDIR%%/hoomd/dem/pair.py -%%PYTHON_SITELIBDIR%%/hoomd/dem/params.py -%%PYTHON_SITELIBDIR%%/hoomd/dem/utils.py %%PYTHON_SITELIBDIR%%/hoomd/device.py %%PYTHON_SITELIBDIR%%/hoomd/error.py %%PYTHON_SITELIBDIR%%/hoomd/example_plugin/__init__.py @@ -54,8 +49,9 @@ lib/cmake/hoomd/hoomd-targets.cmake %%PYTHON_SITELIBDIR%%/hoomd/hpmc/_hpmc%%PYTHON_EXT_SUFFIX%%.so %%PYTHON_SITELIBDIR%%/hoomd/hpmc/compute.py %%PYTHON_SITELIBDIR%%/hoomd/hpmc/external/__init__.py +%%PYTHON_SITELIBDIR%%/hoomd/hpmc/external/field.py %%PYTHON_SITELIBDIR%%/hoomd/hpmc/external/user.py -%%PYTHON_SITELIBDIR%%/hoomd/hpmc/field.py +%%PYTHON_SITELIBDIR%%/hoomd/hpmc/external/wall.py %%PYTHON_SITELIBDIR%%/hoomd/hpmc/integrate.py %%PYTHON_SITELIBDIR%%/hoomd/hpmc/pair/__init__.py %%PYTHON_SITELIBDIR%%/hoomd/hpmc/pair/user.py @@ -66,7 +62,9 @@ lib/cmake/hoomd/hoomd-targets.cmake %%PYTHON_SITELIBDIR%%/hoomd/hpmc/pytest/test_clusters.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_user.py +%%PYTHON_SITELIBDIR%%/hoomd/hpmc/pytest/test_external_wall.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_pair_union_user.py @@ -115,9 +113,6 @@ lib/cmake/hoomd/hoomd-targets.cmake %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/GSDDumpWriter.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/GSDReader.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/GSDShapeSpecWriter.h -%%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/GetarDumpIterators.h -%%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/GetarDumpWriter.h -%%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/GetarInitializer.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/GlobalArray.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/HOOMDMPI.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/HOOMDMath.h @@ -139,7 +134,6 @@ lib/cmake/hoomd/hoomd-targets.cmake %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/ParticleFilterUpdater.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/ParticleGroup.cuh %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/ParticleGroup.h -%%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/Profiler.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/PythonAnalyzer.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/PythonLocalDataAccess.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/PythonUpdater.h @@ -160,18 +154,6 @@ lib/cmake/hoomd/hoomd-targets.cmake %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/Variant.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/VectorMath.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/WarpTools.cuh -%%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/dem/DEM2DForceCompute.h -%%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/dem/DEM2DForceComputeGPU.h -%%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/dem/DEM2DForceGPU.cuh -%%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/dem/DEM3DForceCompute.h -%%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/dem/DEM3DForceComputeGPU.h -%%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/dem/DEM3DForceGPU.cuh -%%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/dem/DEMEvaluator.h -%%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/dem/NoFriction.h -%%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/dem/SWCAPotential.h -%%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/dem/VectorMath.h -%%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/dem/WCAPotential.h -%%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/dem/atomics.cuh %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/extern/BVLSSolver.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/extern/ECL.cuh %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/extern/HIP/cmake/FindHIP.cmake @@ -469,21 +451,6 @@ lib/cmake/hoomd/hoomd-targets.cmake %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/extern/jitify.hpp %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/extern/kiss_fft.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/extern/kiss_fftnd.h -%%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/extern/libgetar/dirent/include/dirent.h -%%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/extern/libgetar/lz4/lz4.h -%%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/extern/libgetar/lz4/lz4hc.h -%%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/extern/libgetar/lz4/lz4opt.h -%%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/extern/libgetar/miniz/miniz.h -%%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/extern/libgetar/sqlite3/sqlite3.h -%%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/extern/libgetar/sqlite3/sqlite3ext.h -%%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/extern/libgetar/src/Archive.hpp -%%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/extern/libgetar/src/DirArchive.hpp -%%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/extern/libgetar/src/GTAR.hpp -%%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/extern/libgetar/src/Record.hpp -%%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/extern/libgetar/src/SharedArray.hpp -%%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/extern/libgetar/src/SqliteArchive.hpp -%%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/extern/libgetar/src/TarArchive.hpp -%%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/extern/libgetar/src/ZipArchive.hpp %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/extern/nano-signal-slot/nano_function.hpp %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/extern/nano-signal-slot/nano_observer.hpp %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/extern/nano-signal-slot/nano_signal_slot.hpp @@ -589,7 +556,7 @@ lib/cmake/hoomd/hoomd-targets.cmake %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/hpmc/ComputeSDF.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/hpmc/ExternalField.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/hpmc/ExternalFieldComposite.h -%%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/hpmc/ExternalFieldLattice.h +%%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/hpmc/ExternalFieldHarmonic.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/hpmc/ExternalFieldWall.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/hpmc/GPUHelpers.cuh %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/hpmc/GPUTree.h @@ -628,7 +595,6 @@ lib/cmake/hoomd/hoomd-targets.cmake %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/hpmc/UpdaterClusters.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/hpmc/UpdaterClustersGPU.cuh %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/hpmc/UpdaterClustersGPUDepletants.cuh -%%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/hpmc/UpdaterExternalFieldWall.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/hpmc/UpdaterMuVT.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/hpmc/UpdaterQuickCompress.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/hpmc/XenoCollide2D.h @@ -670,6 +636,7 @@ lib/cmake/hoomd/hoomd-targets.cmake %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/EvaluatorBondTether.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/EvaluatorExternalElectricField.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/EvaluatorExternalPeriodic.h +%%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/EvaluatorPairALJ.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/EvaluatorPairBuckingham.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/EvaluatorPairDLVO.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/EvaluatorPairDPDLJThermo.h @@ -690,7 +657,6 @@ lib/cmake/hoomd/hoomd-targets.cmake %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/EvaluatorPairMorse.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/EvaluatorPairOPP.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/EvaluatorPairReactionField.h -%%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/EvaluatorPairSLJ.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/EvaluatorPairTWF.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/EvaluatorPairYukawa.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/EvaluatorPairZBL.h @@ -752,7 +718,6 @@ lib/cmake/hoomd/hoomd-targets.cmake %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/PotentialSpecialPairGPU.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/PotentialTersoff.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/PotentialTersoffGPU.h -%%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/QuaternionMath.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/TableAngleForceCompute.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/TableAngleForceComputeGPU.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/md/TableDihedralForceCompute.h @@ -848,6 +813,7 @@ lib/cmake/hoomd/hoomd-targets.cmake %%PYTHON_SITELIBDIR%%/hoomd/md/pytest/forces_and_energies.json %%PYTHON_SITELIBDIR%%/hoomd/md/pytest/test_active.py %%PYTHON_SITELIBDIR%%/hoomd/md/pytest/test_active_rotational_diffusion.py +%%PYTHON_SITELIBDIR%%/hoomd/md/pytest/test_alj.py %%PYTHON_SITELIBDIR%%/hoomd/md/pytest/test_angle.py %%PYTHON_SITELIBDIR%%/hoomd/md/pytest/test_aniso_pair.py %%PYTHON_SITELIBDIR%%/hoomd/md/pytest/test_array_view.py @@ -859,6 +825,8 @@ lib/cmake/hoomd/hoomd-targets.cmake %%PYTHON_SITELIBDIR%%/hoomd/md/pytest/test_filter_md.py %%PYTHON_SITELIBDIR%%/hoomd/md/pytest/test_flags.py %%PYTHON_SITELIBDIR%%/hoomd/md/pytest/test_gsd.py +%%PYTHON_SITELIBDIR%%/hoomd/md/pytest/test_improper.py +%%PYTHON_SITELIBDIR%%/hoomd/md/pytest/test_integrate.py %%PYTHON_SITELIBDIR%%/hoomd/md/pytest/test_lj_equation_of_state.py %%PYTHON_SITELIBDIR%%/hoomd/md/pytest/test_manifolds.py %%PYTHON_SITELIBDIR%%/hoomd/md/pytest/test_meta_wall_list.py @@ -869,6 +837,7 @@ lib/cmake/hoomd/hoomd-targets.cmake %%PYTHON_SITELIBDIR%%/hoomd/md/pytest/test_pppm_coulomb.py %%PYTHON_SITELIBDIR%%/hoomd/md/pytest/test_reverse_perturbation_flow.py %%PYTHON_SITELIBDIR%%/hoomd/md/pytest/test_rigid.py +%%PYTHON_SITELIBDIR%%/hoomd/md/pytest/test_special_pair.py %%PYTHON_SITELIBDIR%%/hoomd/md/pytest/test_table_pressure.py %%PYTHON_SITELIBDIR%%/hoomd/md/pytest/test_thermo.py %%PYTHON_SITELIBDIR%%/hoomd/md/pytest/test_thermoHMA.py