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authorYuri Victorovich <yuri@FreeBSD.org>2022-11-14 15:59:01 +0000
committerYuri Victorovich <yuri@FreeBSD.org>2022-11-14 22:44:58 +0000
commitdc8b8c3fa51803e2c39082512fa09f199e1ffaae (patch)
tree78d62981304c1c67d7c83a7b302487863811d53a
parent2b3f9b849751560a46c1b73836caffc73419e204 (diff)
downloadports-dc8b8c3fa51803e2c39082512fa09f199e1ffaae.tar.gz
ports-dc8b8c3fa51803e2c39082512fa09f199e1ffaae.zip
science/mrcpp: New port: MultiResolution Computation Program Package
-rw-r--r--science/Makefile1
-rw-r--r--science/mrcpp/Makefile41
-rw-r--r--science/mrcpp/distinfo3
-rw-r--r--science/mrcpp/pkg-descr7
-rw-r--r--science/mrcpp/pkg-plist484
5 files changed, 536 insertions, 0 deletions
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
+share/MRCPP/mwfilters/I_G0_17
+share/MRCPP/mwfilters/I_G0_18
+share/MRCPP/mwfilters/I_G0_19
+share/MRCPP/mwfilters/I_G0_2
+share/MRCPP/mwfilters/I_G0_20
+share/MRCPP/mwfilters/I_G0_21
+share/MRCPP/mwfilters/I_G0_22
+share/MRCPP/mwfilters/I_G0_23
+share/MRCPP/mwfilters/I_G0_24
+share/MRCPP/mwfilters/I_G0_25
+share/MRCPP/mwfilters/I_G0_26
+share/MRCPP/mwfilters/I_G0_27
+share/MRCPP/mwfilters/I_G0_28
+share/MRCPP/mwfilters/I_G0_29
+share/MRCPP/mwfilters/I_G0_3
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