git: dc8b8c3fa518 - main - science/mrcpp: New port: MultiResolution Computation Program Package

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From: Yuri Victorovich <yuri_at_FreeBSD.org>
Date: Mon, 14 Nov 2022 22:45:10 UTC
The branch main has been updated by yuri:

URL: https://cgit.FreeBSD.org/ports/commit/?id=dc8b8c3fa51803e2c39082512fa09f199e1ffaae

commit dc8b8c3fa51803e2c39082512fa09f199e1ffaae
Author:     Yuri Victorovich <yuri@FreeBSD.org>
AuthorDate: 2022-11-14 15:59:01 +0000
Commit:     Yuri Victorovich <yuri@FreeBSD.org>
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 <bsd.port.mk>
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
+include/MRCPP/treebuilders/PowerCalculator.h
+include/MRCPP/treebuilders/ProjectionCalculator.h
+include/MRCPP/treebuilders/SplitAdaptor.h
+include/MRCPP/treebuilders/SquareCalculator.h
+include/MRCPP/treebuilders/TreeAdaptor.h
+include/MRCPP/treebuilders/TreeBuilder.h
+include/MRCPP/treebuilders/TreeCalculator.h
+include/MRCPP/treebuilders/WaveletAdaptor.h
+include/MRCPP/treebuilders/add.h
+include/MRCPP/treebuilders/apply.h
+include/MRCPP/treebuilders/grid.h
+include/MRCPP/treebuilders/map.h
+include/MRCPP/treebuilders/multiply.h
+include/MRCPP/treebuilders/project.h
+include/MRCPP/trees/BandWidth.h
+include/MRCPP/trees/BoundingBox.h
+include/MRCPP/trees/FunctionNode.h
+include/MRCPP/trees/FunctionTree.h
+include/MRCPP/trees/FunctionTreeVector.h
+include/MRCPP/trees/HilbertPath.h
+include/MRCPP/trees/MWNode.h
+include/MRCPP/trees/MWTree.h
+include/MRCPP/trees/MultiResolutionAnalysis.h
+include/MRCPP/trees/NodeAllocator.h
+include/MRCPP/trees/NodeBox.h
+include/MRCPP/trees/NodeIndex.h
+include/MRCPP/trees/OperatorNode.h
+include/MRCPP/trees/OperatorTree.h
+include/MRCPP/trees/TreeIterator.h
+include/MRCPP/utils/Plotter.h
+include/MRCPP/utils/Printer.h
+include/MRCPP/utils/Timer.h
+include/MRCPP/utils/details.h
+include/MRCPP/utils/math_utils.h
+include/MRCPP/utils/mpi_utils.h
+include/MRCPP/utils/omp_utils.h
+include/MRCPP/utils/periodic_utils.h
+include/MRCPP/utils/tree_utils.h
+include/MRCPP/version.h
+lib/libmrcpp.so
+lib/libmrcpp.so.1
+share/MRCPP/mwfilters/I_G0_0
+share/MRCPP/mwfilters/I_G0_1
+share/MRCPP/mwfilters/I_G0_10
+share/MRCPP/mwfilters/I_G0_11
+share/MRCPP/mwfilters/I_G0_12
+share/MRCPP/mwfilters/I_G0_13
+share/MRCPP/mwfilters/I_G0_14
+share/MRCPP/mwfilters/I_G0_15
+share/MRCPP/mwfilters/I_G0_16
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