diff options
| -rw-r--r-- | science/Makefile | 1 | ||||
| -rw-r--r-- | science/madness/Makefile | 29 | ||||
| -rw-r--r-- | science/madness/distinfo | 3 | ||||
| -rw-r--r-- | science/madness/files/patch-src_CMakeLists.txt | 11 | ||||
| -rw-r--r-- | science/madness/files/patch-src_madness_world_thread.cc | 22 | ||||
| -rw-r--r-- | science/madness/files/patch-src_madness_world_worldmem.h | 11 | ||||
| -rw-r--r-- | science/madness/pkg-descr | 14 | ||||
| -rw-r--r-- | science/madness/pkg-plist | 190 |
8 files changed, 281 insertions, 0 deletions
diff --git a/science/Makefile b/science/Makefile index 220a4a2ccbf7..381fb914bb6c 100644 --- a/science/Makefile +++ b/science/Makefile @@ -110,6 +110,7 @@ SUBDIR += libsvm-python SUBDIR += libxc SUBDIR += linsmith + SUBDIR += madness SUBDIR += massxpert SUBDIR += mbdyn SUBDIR += mcstas diff --git a/science/madness/Makefile b/science/madness/Makefile new file mode 100644 index 000000000000..afa4ea349d1d --- /dev/null +++ b/science/madness/Makefile @@ -0,0 +1,29 @@ +# $FreeBSD$ + +PORTNAME= madness +DISTVERSION= 0.10.1.20180823 +CATEGORIES= science + +MAINTAINER= yuri@FreeBSD.org +COMMENT= Multiresolution adaptive numeric environment for scientific simulation + +LICENSE= GPLv2 +LICENSE_FILE= ${WRKSRC}/LICENSE + +BUILD_DEPENDS= libsysinfo>0:devel/libsysinfo +LIB_DEPENDS= libblas.so:math/blas \ + liblapack.so:math/lapack \ + libmpich.so:net/mpich2 \ + libtbb.so:devel/tbb \ + libtcmalloc.so:devel/google-perftools \ + libxc.so:science/libxc + +USES= cmake:outsource compiler:c++14-lang fortran localbase:ldflags +USE_GITHUB= yes +GH_ACCOUNT= m-a-d-n-e-s-s +GH_TAGNAME= ebb3fd7 +USE_LDCONFIG= yes + +CMAKE_ARGS= -DLAPACK_LIBRARIES:STRING="-L${LOCALBASE}/lib -llapack -lblas -L${LOCALBASE}/lib/gcc${GCC_DEFAULT} -lgcc_s" + +.include <bsd.port.mk> diff --git a/science/madness/distinfo b/science/madness/distinfo new file mode 100644 index 000000000000..498c1ba855fe --- /dev/null +++ b/science/madness/distinfo @@ -0,0 +1,3 @@ +TIMESTAMP = 1535353560 +SHA256 (m-a-d-n-e-s-s-madness-0.10.1.20180823-ebb3fd7_GH0.tar.gz) = fe1901c335dfcff9323f6a6fde528a5a10998c21d3c21d727040ece2ffb55118 +SIZE (m-a-d-n-e-s-s-madness-0.10.1.20180823-ebb3fd7_GH0.tar.gz) = 6829265 diff --git a/science/madness/files/patch-src_CMakeLists.txt b/science/madness/files/patch-src_CMakeLists.txt new file mode 100644 index 000000000000..f61d753ca512 --- /dev/null +++ b/science/madness/files/patch-src_CMakeLists.txt @@ -0,0 +1,11 @@ +--- src/CMakeLists.txt.orig 2018-08-27 06:57:22 UTC ++++ src/CMakeLists.txt +@@ -2,7 +2,7 @@ + + add_subdirectory(madness) + add_subdirectory(apps) +-add_subdirectory(examples) ++#add_subdirectory(examples) + + install(FILES madness.h + DESTINATION "${MADNESS_INSTALL_INCLUDEDIR}" diff --git a/science/madness/files/patch-src_madness_world_thread.cc b/science/madness/files/patch-src_madness_world_thread.cc new file mode 100644 index 000000000000..fedcbc33bcf1 --- /dev/null +++ b/science/madness/files/patch-src_madness_world_thread.cc @@ -0,0 +1,22 @@ +--- src/madness/world/thread.cc.orig 2018-08-24 00:32:22 UTC ++++ src/madness/world/thread.cc +@@ -44,6 +44,8 @@ + #include <madness/world/atomicint.h> + #include <cstring> + #include <fstream> ++#include <sys/param.h> ++#include <sys/cpuset.h> + + #if defined(HAVE_IBMBGQ) and defined(HPM) + extern "C" unsigned int HPM_Prof_init_thread(void); +@@ -248,8 +250,8 @@ namespace madness { + } + } + +-#ifndef ON_A_MAC +- cpu_set_t mask; ++#if !defined(ON_A_MAC) && !defined(__FreeBSD__) // need to port to FreeBSD ++ cpuset_t mask; + CPU_ZERO(&mask); + for (int i=lo; i<=hi; ++i) CPU_SET(i,&mask); + if (sched_setaffinity(0, sizeof(mask), &mask) == -1) { diff --git a/science/madness/files/patch-src_madness_world_worldmem.h b/science/madness/files/patch-src_madness_world_worldmem.h new file mode 100644 index 000000000000..79344a9b64d5 --- /dev/null +++ b/science/madness/files/patch-src_madness_world_worldmem.h @@ -0,0 +1,11 @@ +--- src/madness/world/worldmem.h.orig 2018-08-27 07:36:33 UTC ++++ src/madness/world/worldmem.h +@@ -49,7 +49,7 @@ + #elif defined(ON_A_MAC) + #include <malloc/malloc.h> + #elif defined(X86_32) +-#include <malloc.h> ++#include <stdlib.h> + #elif defined(X86_64) + #include <sys/types.h> + #include <unistd.h> diff --git a/science/madness/pkg-descr b/science/madness/pkg-descr new file mode 100644 index 000000000000..c517654a06f4 --- /dev/null +++ b/science/madness/pkg-descr @@ -0,0 +1,14 @@ +MADNESS provides a high-level environment for the solution of integral and +differential equations in many dimensions using adaptive, fast methods with +guaranteed precision based on multi-resolution analysis and novel separated +representations. There are three main components to MADNESS. At the lowest +level is a new petascale parallel programming environment that increases +programmer productivity and code performance/scalability while maintaining +backward compatibility with current programming tools such as MPI and Global +Arrays. The numerical capabilities built upon the parallel tools provide a +high-level environment for composing and solving numerical problems in many +(1-6+) dimensions. Finally, built upon the numerical tools are new applications +with initial focus upon chemistry, atomic and molecular physics, material +science, and nuclear structure. + +WWW: https://github.com/m-a-d-n-e-s-s/madness diff --git a/science/madness/pkg-plist b/science/madness/pkg-plist new file mode 100644 index 000000000000..14cb00f3e7be --- /dev/null +++ b/science/madness/pkg-plist @@ -0,0 +1,190 @@ +bin/mcpfit +bin/moldft +bin/mraplot +bin/tdse +bin/tdse4 +include/chem/AC.h +include/chem/CC2.h +include/chem/CCPotentials.h +include/chem/CCStructures.h +include/chem/CalculationParameters.h +include/chem/SCF.h +include/chem/SCFOperators.h +include/chem/SCFProtocol.h +include/chem/TDHF.h +include/chem/atomutil.h +include/chem/cheminfo.h +include/chem/corepotential.h +include/chem/correlationfactor.h +include/chem/electronic_correlation_factor.h +include/chem/gth_pseudopotential.h +include/chem/molecular_optimizer.h +include/chem/molecularbasis.h +include/chem/molecule.h +include/chem/molopt.h +include/chem/mp2.h +include/chem/nemo.h +include/chem/pcm.h +include/chem/potentialmanager.h +include/chem/projector.h +include/chem/vibanal.h +include/chem/xcfunctional.h +include/madness.h +include/madness/config.h +include/madness/constants.h +include/madness/external/muParser/muParser.h +include/madness/external/muParser/muParserBase.h +include/madness/external/muParser/muParserBytecode.h +include/madness/external/muParser/muParserCallback.h +include/madness/external/muParser/muParserDLL.h +include/madness/external/muParser/muParserDef.h +include/madness/external/muParser/muParserError.h +include/madness/external/muParser/muParserFixes.h +include/madness/external/muParser/muParserInt.h +include/madness/external/muParser/muParserStack.h +include/madness/external/muParser/muParserTest.h +include/madness/external/muParser/muParserToken.h +include/madness/external/muParser/muParserTokenReader.h +include/madness/external/tinyxml/tinystr.h +include/madness/external/tinyxml/tinyxml.h +include/madness/fortran_ctypes.h +include/madness/madness_config.h +include/madness/misc/cfft.h +include/madness/misc/interpolation_1d.h +include/madness/misc/misc.h +include/madness/misc/phandler.h +include/madness/misc/ran.h +include/madness/mra/adquad.h +include/madness/mra/convolution1d.h +include/madness/mra/derivative.h +include/madness/mra/displacements.h +include/madness/mra/funcdefaults.h +include/madness/mra/funcimpl.h +include/madness/mra/funcplot.h +include/madness/mra/function_common_data.h +include/madness/mra/function_factory.h +include/madness/mra/function_interface.h +include/madness/mra/functypedefs.h +include/madness/mra/gfit.h +include/madness/mra/indexit.h +include/madness/mra/key.h +include/madness/mra/lbdeux.h +include/madness/mra/leafop.h +include/madness/mra/legendre.h +include/madness/mra/mra.h +include/madness/mra/mraimpl.h +include/madness/mra/nonlinsol.h +include/madness/mra/operator.h +include/madness/mra/power.h +include/madness/mra/qmprop.h +include/madness/mra/sdf_domainmask.h +include/madness/mra/sdf_shape_3D.h +include/madness/mra/simplecache.h +include/madness/mra/twoscale.h +include/madness/mra/vmra.h +include/madness/mra/vmra1.h +include/madness/tensor/aligned.h +include/madness/tensor/basetensor.h +include/madness/tensor/cblas.h +include/madness/tensor/clapack.h +include/madness/tensor/clapack_fortran.h +include/madness/tensor/distributed_matrix.h +include/madness/tensor/elem.h +include/madness/tensor/gentensor.h +include/madness/tensor/mxm.h +include/madness/tensor/slice.h +include/madness/tensor/solvers.h +include/madness/tensor/srconf.h +include/madness/tensor/systolic.h +include/madness/tensor/tensor.h +include/madness/tensor/tensor_lapack.h +include/madness/tensor/tensor_macros.h +include/madness/tensor/tensor_spec.h +include/madness/tensor/tensorexcept.h +include/madness/tensor/tensoriter.h +include/madness/tensor/tensoriter_spec.h +include/madness/tensor/tensortrain.h +include/madness/tensor/type_data.h +include/madness/tensor/vector_factory.h +include/madness/tensor/vmath.h +include/madness/world/MADworld.h +include/madness/world/archive.h +include/madness/world/array_addons.h +include/madness/world/atomicint.h +include/madness/world/bgq_atomics.h +include/madness/world/binary_fstream_archive.h +include/madness/world/binsorter.h +include/madness/world/buffer_archive.h +include/madness/world/deferred_cleanup.h +include/madness/world/dependency_interface.h +include/madness/world/dist_cache.h +include/madness/world/distributed_id.h +include/madness/world/dqueue.h +include/madness/world/function_traits.h +include/madness/world/future.h +include/madness/world/group.h +include/madness/world/info.h +include/madness/world/madness_exception.h +include/madness/world/mem_func_wrapper.h +include/madness/world/meta.h +include/madness/world/mpi_archive.h +include/madness/world/nodefaults.h +include/madness/world/parallel_archive.h +include/madness/world/parsec.h +include/madness/world/posixmem.h +include/madness/world/print.h +include/madness/world/print_seq.h +include/madness/world/range.h +include/madness/world/safempi.h +include/madness/world/stack.h +include/madness/world/stubmpi.h +include/madness/world/taskfn.h +include/madness/world/text_fstream_archive.h +include/madness/world/thread.h +include/madness/world/timers.h +include/madness/world/type_traits.h +include/madness/world/uniqueid.h +include/madness/world/vector.h +include/madness/world/vector_archive.h +include/madness/world/world.h +include/madness/world/world_object.h +include/madness/world/world_task_queue.h +include/madness/world/worldam.h +include/madness/world/worlddc.h +include/madness/world/worldgop.h +include/madness/world/worldhash.h +include/madness/world/worldhashmap.h +include/madness/world/worldmem.h +include/madness/world/worldmpi.h +include/madness/world/worldmutex.h +include/madness/world/worldpapi.h +include/madness/world/worldprofile.h +include/madness/world/worldptr.h +include/madness/world/worldref.h +include/madness/world/worldrmi.h +include/madness/world/worldtypes.h +lib/cmake/madness/madness-config-version.cmake +lib/cmake/madness/madness-config.cmake +lib/cmake/madness/madness-targets-%%CMAKE_BUILD_TYPE%%.cmake +lib/cmake/madness/madness-targets.cmake +lib/cmake/madness/madworld-targets-%%CMAKE_BUILD_TYPE%%.cmake +lib/cmake/madness/madworld-targets.cmake +lib/libMADchem.so +lib/libMADlinalg.so +lib/libMADmisc.so +lib/libMADmra.so +lib/libMADmuparser.so +lib/libMADtensor.so +lib/libMADtinyxml.so +lib/libMADworld.so +lib/libmadness.so +libdata/pkgconfig/MADNESS.pc +%%DATADIR%%/0.10.1/data/6-31g +%%DATADIR%%/0.10.1/data/autocorr +%%DATADIR%%/0.10.1/data/coeffs +%%DATADIR%%/0.10.1/data/gaussleg +%%DATADIR%%/0.10.1/data/mcp +%%DATADIR%%/0.10.1/data/mcp2 +%%DATADIR%%/0.10.1/data/mcp_guess +%%DATADIR%%/0.10.1/data/sto-3g +%%DATADIR%%/0.10.1/data/sto-6g |