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(8.16.1/8.16.1) with ESMTP id 284IUxiU080972; Sun, 4 Sep 2022 18:30:59 GMT (envelope-from git@gitrepo.freebsd.org) Received: (from git@localhost) by gitrepo.freebsd.org (8.16.1/8.16.1/Submit) id 284IUxn4080971; Sun, 4 Sep 2022 18:30:59 GMT (envelope-from git) Date: Sun, 4 Sep 2022 18:30:59 GMT Message-Id: <202209041830.284IUxn4080971@gitrepo.freebsd.org> To: ports-committers@FreeBSD.org, dev-commits-ports-all@FreeBSD.org, dev-commits-ports-main@FreeBSD.org From: Yuri Victorovich Subject: git: fe590ebd664d - main - science/py-hoomd-blue: Update 3.2.0 -> 3.4.0; Add MPI options List-Id: Commit messages for all branches of the ports repository List-Archive: https://lists.freebsd.org/archives/dev-commits-ports-all List-Help: List-Post: List-Subscribe: List-Unsubscribe: Sender: owner-dev-commits-ports-all@freebsd.org X-BeenThere: dev-commits-ports-all@freebsd.org MIME-Version: 1.0 Content-Type: text/plain; charset=utf-8 Content-Transfer-Encoding: 8bit X-Git-Committer: yuri X-Git-Repository: ports X-Git-Refname: refs/heads/main X-Git-Reftype: branch X-Git-Commit: fe590ebd664dbba171a11257fbf08868abd7efb4 Auto-Submitted: auto-generated ARC-Message-Signature: i=1; a=rsa-sha256; c=relaxed/relaxed; d=freebsd.org; s=dkim; t=1662316260; h=from:from:reply-to:subject:subject:date:date:message-id:message-id: to:to:cc:mime-version:mime-version:content-type:content-type: content-transfer-encoding:content-transfer-encoding; bh=ERHPDs3U57tZxOB8KJUNlDhcbgFGrTJZ38PKkPKNSFo=; b=oFVViUsdVN98NJbKmlcFDP7b8FCo2ictCY1cCHmcpd+Eors7FjDuUj2AMdHmGSOqgN5DeC PyvMn0GubSzC2lsixSYyhdHn0rnbc0xAH7obQbVzVJkk5KkBNFvj6H0V+i1zjVYwib3FVz O3e/v7tZ+rH64yMeP1TOkhrEtsigjysx7QkomJkOnTnpo4ZhaSOJVWZtg7sf++FFcjzDit 7sOvrOIZjeaZ/jUDT2qUpEKEB4mSI6yvp/I/YDCYwkIDc58jq9+nhhslrnH40vWjARA2DP t6hCqqJHgzo1TJtU+brSu4Hpv+OvhCafhwMY5myDmlxXx5fxcEpgCGRJLKnDxw== ARC-Seal: i=1; s=dkim; d=freebsd.org; t=1662316260; a=rsa-sha256; cv=none; b=t6lrGyQg6So5Xaq9Ea55cJp0IQ9OCIxY6DArKtaSgBzDdokNkjrqi7vzzwBdq65SBNWMSa m5hiRLiEY4GVpX8YBLzL7rCbvhiC3zsqQ8regg/daLjFlMynweSbEYwkqhOMvmB/2HAVWZ qN+tQo2RkURR/sZKx9S/0KJckNRBljHAwXZZGojST8R881e1vzeRDx2P8fw54S2ryVulid L4Wgas9ZFuJWsBIONoqpOLKHGYByNZ+pFVvrni5jmiuOKa+HnyH1CSgT/kPMB4+HqmgVmj cwsksZMtO9euJZqMlwemaDv0cd8tvtbfU3ts9A/ND3f8lrnEiVrhFpYWcdpptQ== ARC-Authentication-Results: i=1; mx1.freebsd.org; none X-ThisMailContainsUnwantedMimeParts: N The branch main has been updated by yuri: URL: https://cgit.FreeBSD.org/ports/commit/?id=fe590ebd664dbba171a11257fbf08868abd7efb4 commit fe590ebd664dbba171a11257fbf08868abd7efb4 Author: Yuri Victorovich AuthorDate: 2022-09-04 17:02:07 +0000 Commit: Yuri Victorovich CommitDate: 2022-09-04 18:30:55 +0000 science/py-hoomd-blue: Update 3.2.0 -> 3.4.0; Add MPI options Reported by: portscout --- science/py-hoomd-blue/Makefile | 27 +++++++++++++++++++-------- science/py-hoomd-blue/distinfo | 10 +++++----- science/py-hoomd-blue/pkg-plist | 19 ++++++++++++------- 3 files changed, 36 insertions(+), 20 deletions(-) diff --git a/science/py-hoomd-blue/Makefile b/science/py-hoomd-blue/Makefile index b9fa61830a65..6e17762b4830 100644 --- a/science/py-hoomd-blue/Makefile +++ b/science/py-hoomd-blue/Makefile @@ -1,7 +1,6 @@ PORTNAME= hoomd-blue DISTVERSIONPREFIX= v -DISTVERSION= 3.2.0 -PORTREVISION= 1 +DISTVERSION= 3.4.0 CATEGORIES= science # physics PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} @@ -27,7 +26,7 @@ GH_TUPLE= glotzerlab:upp11:0c1fb8dfb4bcdc1c5c4eff9165539b15e70c4360:glotzerlab_u 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:78174286427a2ec1c23e84015f7b4ba4f5f86d20:glotzerlab_hoomd_examples/sphinx-doc/tutorial + glotzerlab:hoomd-examples:15ba66f409e278b0f5d4e2ea8139fb52139beda3:glotzerlab_hoomd_examples/sphinx-doc/tutorial SHEBANG_GLOB= *.sh @@ -35,16 +34,28 @@ CMAKE_OFF= BUILD_TESTING LDFLAGS+= -lexecinfo -OPTIONS_DEFINE= MPI TBB -OPTIONS_DEFAULT= MPI TBB +OPTIONS_DEFINE= TBB +OPTIONS_SINGLE= MPI +OPTIONS_SINGLE_MPI= NOMPI MPICH OPENMPI +OPTIONS_DEFAULT= MPICH TBB OPTIONS_SUB= yes -MPI_CMAKE_BOOL= ENABLE_MPI -MPI_BUILD_DEPENDS= cereal>0:devel/cereal -MPI_LIB_DEPENDS= libmpi.so:net/mpich +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 +# the test mpi-test_communication requires excessive resources, see https://github.com/glotzerlab/hoomd-blue/issues/1396 + .include diff --git a/science/py-hoomd-blue/distinfo b/science/py-hoomd-blue/distinfo index fc9977c8e24a..7041e70d7a32 100644 --- a/science/py-hoomd-blue/distinfo +++ b/science/py-hoomd-blue/distinfo @@ -1,6 +1,6 @@ -TIMESTAMP = 1652996389 -SHA256 (glotzerlab-hoomd-blue-v3.2.0_GH0.tar.gz) = 0dee4efc5b0ba955b05ee85d1ad894d544fc7164a378e45afaa038b0fd99927e -SIZE (glotzerlab-hoomd-blue-v3.2.0_GH0.tar.gz) = 2804662 +TIMESTAMP = 1662274709 +SHA256 (glotzerlab-hoomd-blue-v3.4.0_GH0.tar.gz) = 8104de10f46f18f65fdefe56b320773bd6f1526879d7d62f2b6d93e656782674 +SIZE (glotzerlab-hoomd-blue-v3.4.0_GH0.tar.gz) = 2814355 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 @@ -19,5 +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-78174286427a2ec1c23e84015f7b4ba4f5f86d20_GH0.tar.gz) = 4eed7c90835a5171cf61157aa391c610f7c5a7428d08cc05c64c4b88396cedef -SIZE (glotzerlab-hoomd-examples-78174286427a2ec1c23e84015f7b4ba4f5f86d20_GH0.tar.gz) = 5123923 +SHA256 (glotzerlab-hoomd-examples-15ba66f409e278b0f5d4e2ea8139fb52139beda3_GH0.tar.gz) = 3f3bd183e44affef9bc7b9bc23bff3b6e16adbcefd7db361619255498e96a648 +SIZE (glotzerlab-hoomd-examples-15ba66f409e278b0f5d4e2ea8139fb52139beda3_GH0.tar.gz) = 5736623 diff --git a/science/py-hoomd-blue/pkg-plist b/science/py-hoomd-blue/pkg-plist index 6a8b0ddcecdf..32ee7f354484 100644 --- a/science/py-hoomd-blue/pkg-plist +++ b/science/py-hoomd-blue/pkg-plist @@ -1,10 +1,6 @@ lib/cmake/hoomd/FindCUDALibs.cmake -lib/cmake/hoomd/FindHIP.cmake -lib/cmake/hoomd/FindHIP/run_hipcc.cmake -lib/cmake/hoomd/FindHIP/run_make2cmake.cmake lib/cmake/hoomd/FindTBB.cmake lib/cmake/hoomd/HOOMDHIPSetup.cmake -lib/cmake/hoomd/hipcc.cmake lib/cmake/hoomd/hoomd-config-version.cmake lib/cmake/hoomd/hoomd-config.cmake lib/cmake/hoomd/hoomd-macros.cmake @@ -90,6 +86,7 @@ lib/cmake/hoomd/hoomd-targets.cmake %%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/Autotuner.h @@ -135,11 +132,11 @@ lib/cmake/hoomd/hoomd-targets.cmake %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/LoadBalancerGPU.cuh %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/LoadBalancerGPU.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/MPIConfiguration.h +%%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/ManagedArray.h +%%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/MemoryTraceback.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/MeshDefinition.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/MeshGroupData.cuh %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/MeshGroupData.h -%%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/ManagedArray.h -%%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/MemoryTraceback.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/Messenger.h %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/ParticleData.cuh %%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/ParticleData.h @@ -400,7 +397,7 @@ 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 -%%PYTHON_SITELIBDIR%%/hoomd/include/hoomd/extern/dfftlib/src/dfft_lib_config.h +%%NO_NOMPI%%%%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 @@ -811,6 +808,7 @@ lib/cmake/hoomd/hoomd-targets.cmake %%PYTHON_SITELIBDIR%%/hoomd/md/external/field.py %%PYTHON_SITELIBDIR%%/hoomd/md/external/wall.py %%PYTHON_SITELIBDIR%%/hoomd/md/force.py +%%PYTHON_SITELIBDIR%%/hoomd/md/half_step_hook.py %%PYTHON_SITELIBDIR%%/hoomd/md/improper.py %%PYTHON_SITELIBDIR%%/hoomd/md/integrate.py %%PYTHON_SITELIBDIR%%/hoomd/md/long_range/__init__.py @@ -847,8 +845,10 @@ 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_half_step_hook.py %%PYTHON_SITELIBDIR%%/hoomd/md/pytest/test_improper.py %%PYTHON_SITELIBDIR%%/hoomd/md/pytest/test_integrate.py +%%PYTHON_SITELIBDIR%%/hoomd/md/pytest/test_kernel_parameters.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_meshbond.py @@ -856,6 +856,7 @@ lib/cmake/hoomd/hoomd-targets.cmake %%PYTHON_SITELIBDIR%%/hoomd/md/pytest/test_methods.py %%PYTHON_SITELIBDIR%%/hoomd/md/pytest/test_minimize_fire.py %%PYTHON_SITELIBDIR%%/hoomd/md/pytest/test_nlist.py +%%PYTHON_SITELIBDIR%%/hoomd/md/pytest/test_nlist_tuner.py %%PYTHON_SITELIBDIR%%/hoomd/md/pytest/test_potential.py %%PYTHON_SITELIBDIR%%/hoomd/md/pytest/test_pppm_coulomb.py %%PYTHON_SITELIBDIR%%/hoomd/md/pytest/test_reverse_perturbation_flow.py @@ -869,6 +870,8 @@ lib/cmake/hoomd/hoomd-targets.cmake %%PYTHON_SITELIBDIR%%/hoomd/md/pytest/test_wall_potential.py %%PYTHON_SITELIBDIR%%/hoomd/md/pytest/test_zero_momentum.py %%PYTHON_SITELIBDIR%%/hoomd/md/special_pair.py +%%PYTHON_SITELIBDIR%%/hoomd/md/tune/__init__.py +%%PYTHON_SITELIBDIR%%/hoomd/md/tune/nlist_buffer.py %%PYTHON_SITELIBDIR%%/hoomd/md/update.py %%PYTHON_SITELIBDIR%%/hoomd/mesh.py %%PYTHON_SITELIBDIR%%/hoomd/metal/__init__.py @@ -915,6 +918,7 @@ lib/cmake/hoomd/hoomd-targets.cmake %%PYTHON_SITELIBDIR%%/hoomd/pytest/test_syncedlist.py %%PYTHON_SITELIBDIR%%/hoomd/pytest/test_table.py %%PYTHON_SITELIBDIR%%/hoomd/pytest/test_trigger.py +%%PYTHON_SITELIBDIR%%/hoomd/pytest/test_tune_solve.py %%PYTHON_SITELIBDIR%%/hoomd/pytest/test_type_parameter_dict.py %%PYTHON_SITELIBDIR%%/hoomd/pytest/test_typeparam.py %%PYTHON_SITELIBDIR%%/hoomd/pytest/test_variant.py @@ -927,6 +931,7 @@ lib/cmake/hoomd/hoomd-targets.cmake %%PYTHON_SITELIBDIR%%/hoomd/tune/attr_tuner.py %%PYTHON_SITELIBDIR%%/hoomd/tune/balance.py %%PYTHON_SITELIBDIR%%/hoomd/tune/custom_tuner.py +%%PYTHON_SITELIBDIR%%/hoomd/tune/solve.py %%PYTHON_SITELIBDIR%%/hoomd/tune/sorter.py %%PYTHON_SITELIBDIR%%/hoomd/update/__init__.py %%PYTHON_SITELIBDIR%%/hoomd/update/box_resize.py