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ESMTPS id 4NB4Bt4JkZzyYR; Mon, 14 Nov 2022 22:45:10 +0000 (UTC) (envelope-from git@FreeBSD.org) Received: from gitrepo.freebsd.org ([127.0.1.44]) by gitrepo.freebsd.org (8.16.1/8.16.1) with ESMTP id 2AEMjAwO006725; Mon, 14 Nov 2022 22:45:10 GMT (envelope-from git@gitrepo.freebsd.org) Received: (from git@localhost) by gitrepo.freebsd.org (8.16.1/8.16.1/Submit) id 2AEMjA2G006724; Mon, 14 Nov 2022 22:45:10 GMT (envelope-from git) Date: Mon, 14 Nov 2022 22:45:10 GMT Message-Id: <202211142245.2AEMjA2G006724@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: dc8b8c3fa518 - main - science/mrcpp: New port: MultiResolution Computation Program Package List-Id: Commits to the main branch of the FreeBSD ports repository List-Archive: https://lists.freebsd.org/archives/dev-commits-ports-main List-Help: List-Post: List-Subscribe: List-Unsubscribe: Sender: owner-dev-commits-ports-main@freebsd.org X-BeenThere: dev-commits-ports-main@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: dc8b8c3fa51803e2c39082512fa09f199e1ffaae Auto-Submitted: auto-generated X-ThisMailContainsUnwantedMimeParts: N The branch main has been updated by yuri: URL: https://cgit.FreeBSD.org/ports/commit/?id=dc8b8c3fa51803e2c39082512fa09f199e1ffaae commit dc8b8c3fa51803e2c39082512fa09f199e1ffaae Author: Yuri Victorovich AuthorDate: 2022-11-14 15:59:01 +0000 Commit: Yuri Victorovich CommitDate: 2022-11-14 22:44:58 +0000 science/mrcpp: New port: MultiResolution Computation Program Package --- science/Makefile | 1 + science/mrcpp/Makefile | 41 ++++ science/mrcpp/distinfo | 3 + science/mrcpp/pkg-descr | 7 + science/mrcpp/pkg-plist | 484 ++++++++++++++++++++++++++++++++++++++++++++++++ 5 files changed, 536 insertions(+) diff --git a/science/Makefile b/science/Makefile index 14cad8237789..3f666717d097 100644 --- a/science/Makefile +++ b/science/Makefile @@ -190,6 +190,7 @@ SUBDIR += mopac SUBDIR += mpb SUBDIR += mpqc + SUBDIR += mrcpp SUBDIR += msms SUBDIR += mstore SUBDIR += multicharge diff --git a/science/mrcpp/Makefile b/science/mrcpp/Makefile new file mode 100644 index 000000000000..0c5726269bc3 --- /dev/null +++ b/science/mrcpp/Makefile @@ -0,0 +1,41 @@ +PORTNAME= mrcpp +DISTVERSIONPREFIX= v +DISTVERSION= 1.4.1.20221026 +CATEGORIES= science + +MAINTAINER= yuri@FreeBSD.org +COMMENT= MultiResolution Computation Program Package +WWW= https://github.com/MRChemSoft/mrcpp + +LICENSE= GPLv3 +LICENSE_FILE= ${WRKSRC}/LICENSE + +USES= cmake:testing compiler:c++14-lang eigen:3 +USE_LDCONFIG= yes + +USE_GITHUB= yes +GH_ACCOUNT= MRChemSoft +GH_TAGNAME= e865a7e + +CMAKE_OFF= ENABLE_TESTS +CMAKE_TESTING_ON= ENABLE_TESTS + +BINARY_ALIAS= git=false + +OPTIONS_DEFINE= ARCH_FLAGS +OPTIONS_SINGLE= MPI +OPTIONS_SINGLE_MPI= NOMPI MPICH OPENMPI +OPTIONS_DEFAULT= OPENMPI + +ARCH_FLAGS_DESC= Enable architecture-specific compiler flags +ARCH_FLAGS_CMAKE_BOOL= ENABLE_ARCH_FLAGS + +NOMPI_DESC= Build without parallel processing support + +MPICH_USES= mpi:mpich +MPICH_CMAKE_ON= -DENABLE_MPI=ON + +OPENMPI_USES= mpi:openmpi +OPENMPI_CMAKE_ON= -DENABLE_MPI=ON + +.include diff --git a/science/mrcpp/distinfo b/science/mrcpp/distinfo new file mode 100644 index 000000000000..f6e9db3f66c0 --- /dev/null +++ b/science/mrcpp/distinfo @@ -0,0 +1,3 @@ +TIMESTAMP = 1668464679 +SHA256 (MRChemSoft-mrcpp-v1.4.1.20221026-e865a7e_GH0.tar.gz) = e97c0e6c5322f8ab31275071b1ebae813e94b82a0befa1cf4eb4301d5dece440 +SIZE (MRChemSoft-mrcpp-v1.4.1.20221026-e865a7e_GH0.tar.gz) = 48487085 diff --git a/science/mrcpp/pkg-descr b/science/mrcpp/pkg-descr new file mode 100644 index 000000000000..d52dd85b539c --- /dev/null +++ b/science/mrcpp/pkg-descr @@ -0,0 +1,7 @@ +The MultiResolution Computation Program Package (MRCPP) is a general purpose +numerical mathematics library based on multiresolution analysis and the +multiwavelet basis which provide low-scaling algorithms as well as rigorous +error control in numerical computations. + +The code is being developed at the Hylleraas Centre for Quantum Molecular +Sciences at UiT - The Arctic University of Norway. diff --git a/science/mrcpp/pkg-plist b/science/mrcpp/pkg-plist new file mode 100644 index 000000000000..30de4f4c0e8a --- /dev/null +++ b/science/mrcpp/pkg-plist @@ -0,0 +1,484 @@ +include/MRCPP/Gaussians +include/MRCPP/MWFunctions +include/MRCPP/MWOperators +include/MRCPP/Parallel +include/MRCPP/Plotter +include/MRCPP/Printer +include/MRCPP/Timer +include/MRCPP/config.h +include/MRCPP/constants.h +include/MRCPP/core/CrossCorrelation.h +include/MRCPP/core/CrossCorrelationCache.h +include/MRCPP/core/FilterCache.h +include/MRCPP/core/GaussQuadrature.h +include/MRCPP/core/InterpolatingBasis.h +include/MRCPP/core/LegendreBasis.h +include/MRCPP/core/MWFilter.h +include/MRCPP/core/ObjectCache.h +include/MRCPP/core/QuadratureCache.h +include/MRCPP/core/ScalingBasis.h +include/MRCPP/core/ScalingCache.h +include/MRCPP/functions/AnalyticFunction.h +include/MRCPP/functions/BoysFunction.h +include/MRCPP/functions/GaussExp.h +include/MRCPP/functions/GaussFunc.h +include/MRCPP/functions/GaussPoly.h +include/MRCPP/functions/Gaussian.h +include/MRCPP/functions/LegendrePoly.h +include/MRCPP/functions/Polynomial.h +include/MRCPP/functions/RepresentableFunction.h +include/MRCPP/functions/function_utils.h +include/MRCPP/macros.h +include/MRCPP/mrcpp_declarations.h +include/MRCPP/operators/ABGVOperator.h +include/MRCPP/operators/BSOperator.h +include/MRCPP/operators/ConvolutionOperator.h +include/MRCPP/operators/DerivativeConvolution.h +include/MRCPP/operators/DerivativeKernel.h +include/MRCPP/operators/DerivativeOperator.h +include/MRCPP/operators/HelmholtzKernel.h +include/MRCPP/operators/HelmholtzOperator.h +include/MRCPP/operators/IdentityConvolution.h +include/MRCPP/operators/IdentityKernel.h +include/MRCPP/operators/MWOperator.h +include/MRCPP/operators/OperatorState.h +include/MRCPP/operators/OperatorStatistics.h +include/MRCPP/operators/PHOperator.h +include/MRCPP/operators/PoissonKernel.h +include/MRCPP/operators/PoissonOperator.h +include/MRCPP/treebuilders/ABGVCalculator.h +include/MRCPP/treebuilders/AdditionCalculator.h +include/MRCPP/treebuilders/AnalyticAdaptor.h +include/MRCPP/treebuilders/BSCalculator.h +include/MRCPP/treebuilders/BandWidthAdaptor.h +include/MRCPP/treebuilders/ConvolutionCalculator.h +include/MRCPP/treebuilders/CopyAdaptor.h +include/MRCPP/treebuilders/CrossCorrelationCalculator.h +include/MRCPP/treebuilders/DefaultCalculator.h +include/MRCPP/treebuilders/DerivativeCalculator.h +include/MRCPP/treebuilders/MapCalculator.h +include/MRCPP/treebuilders/MultiplicationCalculator.h +include/MRCPP/treebuilders/OperatorAdaptor.h +include/MRCPP/treebuilders/PHCalculator.h 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