diff --git a/science/Makefile b/science/Makefile index ce30460b050e..3019d3e97cd6 100644 --- a/science/Makefile +++ b/science/Makefile @@ -1,383 +1,384 @@ COMMENT = Scientific ports SUBDIR += 2d-rewriter SUBDIR += ALPSCore SUBDIR += InsightToolkit SUBDIR += PETSc SUBDIR += R-cran-AMORE SUBDIR += R-cran-DCluster SUBDIR += R-cran-Epi SUBDIR += R-cran-FAdist SUBDIR += R-cran-bayesm SUBDIR += R-cran-cmprsk SUBDIR += R-cran-e1071 SUBDIR += R-cran-eco SUBDIR += R-cran-epicalc SUBDIR += R-cran-etm SUBDIR += R-cran-fastICA SUBDIR += R-cran-kernlab SUBDIR += R-cran-snow SUBDIR += R-cran-som SUBDIR += R-cran-udunits2 SUBDIR += abinit SUBDIR += afni SUBDIR += agrum SUBDIR += aircraft-datcom SUBDIR += antioch SUBDIR += apbs + SUBDIR += ascent SUBDIR += atompaw SUBDIR += avogadro2 SUBDIR += avogadrolibs SUBDIR += axom SUBDIR += bagel SUBDIR += bddsolve SUBDIR += berkeleygw SUBDIR += bodr SUBDIR += buddy SUBDIR += cantera SUBDIR += cdcl SUBDIR += cdf SUBDIR += cdk SUBDIR += cdo SUBDIR += cgnslib SUBDIR += cgribex SUBDIR += checkmol SUBDIR += chemical-mime-data SUBDIR += chemps2 SUBDIR += chemtool SUBDIR += chemtool-devel SUBDIR += chrono SUBDIR += clhep SUBDIR += clipper SUBDIR += code_saturne SUBDIR += colt SUBDIR += conduit SUBDIR += coordgenlibs SUBDIR += cp2k SUBDIR += cp2k-data SUBDIR += crf++ SUBDIR += csvtk SUBDIR += dakota SUBDIR += dalton SUBDIR += dcl SUBDIR += devisor SUBDIR += dftbplus SUBDIR += dkh SUBDIR += dlib-cpp SUBDIR += drawxtl SUBDIR += dvc SUBDIR += dynare SUBDIR += eccodes SUBDIR += elk SUBDIR += elmerfem SUBDIR += epte SUBDIR += erd SUBDIR += ergo SUBDIR += erkale SUBDIR += erkale-pseudopotentials SUBDIR += fastcap SUBDIR += fasthenry SUBDIR += fastjet SUBDIR += fisicalab SUBDIR += frontistr SUBDIR += fsom SUBDIR += fvcom SUBDIR += fvcom-mpi SUBDIR += gabedit SUBDIR += gamess-us SUBDIR += gchemutils SUBDIR += gdma SUBDIR += getdp SUBDIR += ghemical SUBDIR += ghmm SUBDIR += gnudatalanguage SUBDIR += gpaw-setups SUBDIR += gramps SUBDIR += grib_api SUBDIR += gromacs SUBDIR += gsmc SUBDIR += gtamsanalyzer SUBDIR += h5utils SUBDIR += h5z-zfp SUBDIR += harminv SUBDIR += hdf SUBDIR += hdf5 SUBDIR += hdf5-18 SUBDIR += healpix SUBDIR += helfem SUBDIR += hepmc3 SUBDIR += highfive SUBDIR += hypre SUBDIR += iboview SUBDIR += isaac-cfd SUBDIR += jdftx SUBDIR += jmol SUBDIR += jstrack SUBDIR += kalzium SUBDIR += kim-api SUBDIR += kst2 SUBDIR += lammps SUBDIR += lamprop SUBDIR += latte SUBDIR += libaec SUBDIR += libccp4 SUBDIR += libcint SUBDIR += libctl SUBDIR += libecpint SUBDIR += libefp SUBDIR += libgeodecomp SUBDIR += libghemical SUBDIR += libgridxc SUBDIR += libint SUBDIR += libint2 SUBDIR += libkml SUBDIR += liblinear SUBDIR += libmsym SUBDIR += liboglappth SUBDIR += libquantum SUBDIR += libssm SUBDIR += libsvm SUBDIR += libsvm-python SUBDIR += libvdwxc SUBDIR += libxc SUBDIR += liggghts SUBDIR += luscus SUBDIR += madness SUBDIR += maeparser SUBDIR += massxpert SUBDIR += mbdyn SUBDIR += mcstas SUBDIR += mcstas-comps SUBDIR += mcxtrace SUBDIR += mcxtrace-comps SUBDIR += mdynamix SUBDIR += medit SUBDIR += metaphysicl SUBDIR += minc2 SUBDIR += mmdb2 SUBDIR += mmtf-cpp SUBDIR += mol2ps SUBDIR += molgif SUBDIR += molscript SUBDIR += molsketch SUBDIR += mpb SUBDIR += mpqc SUBDIR += msms SUBDIR += multiwfn SUBDIR += namd SUBDIR += nest SUBDIR += netcdf SUBDIR += netcdf-cxx SUBDIR += netcdf-fortran SUBDIR += nifticlib SUBDIR += nwchem SUBDIR += nwchem-data SUBDIR += octopus SUBDIR += openbabel SUBDIR += openems SUBDIR += openkim SUBDIR += openkim-models SUBDIR += openmx SUBDIR += opensim-core SUBDIR += opensph SUBDIR += opsin SUBDIR += orthanc SUBDIR += orthanc-dicomweb SUBDIR += orthanc-mysql SUBDIR += orthanc-postgresql SUBDIR += orthanc-webviewer SUBDIR += p5-Algorithm-SVMLight SUBDIR += p5-Chemistry-3DBuilder SUBDIR += p5-Chemistry-Bond-Find SUBDIR += p5-Chemistry-Canonicalize SUBDIR += p5-Chemistry-Elements SUBDIR += p5-Chemistry-File-MDLMol SUBDIR += p5-Chemistry-File-Mopac SUBDIR += p5-Chemistry-File-PDB SUBDIR += p5-Chemistry-File-SLN SUBDIR += p5-Chemistry-File-SMARTS SUBDIR += p5-Chemistry-File-SMILES SUBDIR += p5-Chemistry-File-VRML SUBDIR += p5-Chemistry-File-XYZ SUBDIR += p5-Chemistry-FormulaPattern SUBDIR += p5-Chemistry-InternalCoords SUBDIR += p5-Chemistry-Isotope SUBDIR += p5-Chemistry-MacroMol SUBDIR += p5-Chemistry-MidasPattern SUBDIR += p5-Chemistry-Mok SUBDIR += p5-Chemistry-Mol SUBDIR += p5-Chemistry-Pattern SUBDIR += p5-Chemistry-Reaction SUBDIR += p5-Chemistry-Ring SUBDIR += p5-Geo-BUFR SUBDIR += p5-Geo-Coordinates-Converter SUBDIR += p5-Geo-Coordinates-Converter-iArea SUBDIR += p5-Geo-WebService-Elevation-USGS SUBDIR += p5-Mcstas-Tools SUBDIR += p5-PerlMol SUBDIR += p5-Physics-Unit SUBDIR += packmol SUBDIR += pagmo2 SUBDIR += paje SUBDIR += pcmsolver SUBDIR += phonopy SUBDIR += plumed SUBDIR += pnetcdf SUBDIR += pulseview SUBDIR += py-DendroPy SUBDIR += py-GPy SUBDIR += py-GPyOpt SUBDIR += py-MDAnalysis SUBDIR += py-MDAnalysisTests SUBDIR += py-OpenFermion SUBDIR += py-PubChemPy SUBDIR += py-PyFR SUBDIR += py-SimpleSpectral SUBDIR += py-abipy SUBDIR += py-access SUBDIR += py-asdf SUBDIR += py-ase SUBDIR += py-avogadrolibs SUBDIR += py-cdo SUBDIR += py-chainer SUBDIR += py-chainer-chemistry SUBDIR += py-chempy SUBDIR += py-cirq-aqt SUBDIR += py-cirq-core SUBDIR += py-cirq-google SUBDIR += py-cirq-ionq SUBDIR += py-cirq-pasqal SUBDIR += py-coards SUBDIR += py-dipy SUBDIR += py-dlib SUBDIR += py-eccodes SUBDIR += py-esda SUBDIR += py-geolinks SUBDIR += py-geomet SUBDIR += py-geometer SUBDIR += py-geometric SUBDIR += py-gpaw SUBDIR += py-gsd SUBDIR += py-h5json SUBDIR += py-h5py SUBDIR += py-hiphive SUBDIR += py-inequality SUBDIR += py-jupyter_jsmol SUBDIR += py-kim-query SUBDIR += py-kinematics SUBDIR += py-kliff SUBDIR += py-liac-arff SUBDIR += py-libpysal SUBDIR += py-lifelines SUBDIR += py-mdp SUBDIR += py-mmtf-python SUBDIR += py-molmod SUBDIR += py-moltemplate SUBDIR += py-netCDF4 SUBDIR += py-netcdf-flattener SUBDIR += py-nibabel SUBDIR += py-nilearn SUBDIR += py-obspy SUBDIR += py-oddt SUBDIR += py-openpiv SUBDIR += py-paida SUBDIR += py-paramz SUBDIR += py-phono3py SUBDIR += py-phonopy SUBDIR += py-pupynere SUBDIR += py-pyaixi SUBDIR += py-pycsw SUBDIR += py-pydicom SUBDIR += py-pygeodesy SUBDIR += py-pygeometa SUBDIR += py-pygmo2 SUBDIR += py-pyked SUBDIR += py-pymatgen SUBDIR += py-pymol SUBDIR += py-pyosf SUBDIR += py-pysal SUBDIR += py-pyscf SUBDIR += py-pyteomics SUBDIR += py-qcelemental SUBDIR += py-qcengine SUBDIR += py-qspin SUBDIR += py-quantities SUBDIR += py-rmf SUBDIR += py-rmsd SUBDIR += py-ruffus SUBDIR += py-scikit-fuzzy SUBDIR += py-scikit-learn SUBDIR += py-scikit-optimize SUBDIR += py-scikit-sparse SUBDIR += py-scimath SUBDIR += py-scipy SUBDIR += py-scoria SUBDIR += py-segregation SUBDIR += py-segyio SUBDIR += py-skrebate SUBDIR += py-spaghetti SUBDIR += py-spglib SUBDIR += py-tensorflow SUBDIR += py-tobler SUBDIR += py-veusz SUBDIR += pybrain SUBDIR += pynn SUBDIR += qbox SUBDIR += qcl SUBDIR += qiskit-aer SUBDIR += qmcpack SUBDIR += quantum-espresso SUBDIR += quantum-espresso-pseudopotentials SUBDIR += qwalk SUBDIR += rdkit SUBDIR += rmf SUBDIR += rubygem-ai4r SUBDIR += rubygem-cdo SUBDIR += rubygem-rgeo SUBDIR += rubygem-rgeo-geojson SUBDIR += rubygem-rgeo-proj4 SUBDIR += rubygem-rgeo-shapefile SUBDIR += rubygem-ruby-dcl SUBDIR += rubygem-ruby-netcdf SUBDIR += scidavis SUBDIR += segyio SUBDIR += shelxle SUBDIR += siconos SUBDIR += siesta SUBDIR += sigrok-cli SUBDIR += sigrok-firmware SUBDIR += sigrok-firmware-fx2lafw SUBDIR += sigrok-firmware-utils SUBDIR += silo SUBDIR += simbody SUBDIR += simgrid SUBDIR += simint SUBDIR += simlib SUBDIR += simsmith SUBDIR += smoldyn SUBDIR += sparta SUBDIR += spglib SUBDIR += step SUBDIR += svmlight SUBDIR += szip SUBDIR += teem SUBDIR += tfel SUBDIR += tfel-edf SUBDIR += thermofun SUBDIR += tinker SUBDIR += udunits SUBDIR += v_sim SUBDIR += vipster SUBDIR += vmd SUBDIR += voro++ SUBDIR += votca SUBDIR += wannier90 SUBDIR += wwplot SUBDIR += wxmacmolplt SUBDIR += xcfun SUBDIR += xcrysden SUBDIR += xdrawchem SUBDIR += xtb SUBDIR += yoda .include diff --git a/science/ascent/Makefile b/science/ascent/Makefile new file mode 100644 index 000000000000..d88f613ddd7f --- /dev/null +++ b/science/ascent/Makefile @@ -0,0 +1,34 @@ +PORTNAME= ascent +DISTVERSIONPREFIX= v +DISTVERSION= 0.7.1 +CATEGORIES= science +PKGNAMESUFFIX= -visualizer + +MAINTAINER= yuri@FreeBSD.org +COMMENT= Visualization and analysis runtime for multi-physics HPC simulations + +LICENSE= BSD3CLAUSE +LICENSE_FILE= ${WRKSRC}/../LICENSE + +LIB_DEPENDS= libconduit.so:science/conduit \ + libsysinfo.so:devel/libsysinfo + +USES= cmake:testing compiler:c++11-lang fortran localbase:ldflags + +USE_GITHUB= yes +GH_ACCOUNT= Alpine-DAV +GH_TUPLE= Alpine-DAV:spack_configs:2ea6c17:spack_configs/../scripts/uberenv_configs/spack_configs \ + LLNL:blt:86a7d6b:blt/blt \ + llnl:uberenv:105e384:uberenv/../scripts/uberenv + +CMAKE_OFF= ENABLE_PYTHON ENABLE_DOCS ENABLE_TESTS ENABLE_EXAMPLES +CMAKE_OFF+= ENABLE_UTILS # utils are installed into a non-standard path, see https://github.com/Alpine-DAV/ascent/issues/814 +CMAKE_OFF+= ENABLE_MPI # MPI fails to link, see https://github.com/Alpine-DAV/ascent/issues/813 +CMAKE_ARGS= -DCONDUIT_DIR=${LOCALBASE} +CMAKE_TESTING_ON= ENABLE_TESTS # one testcase fails because conduit lacks HDF5, see https://github.com/LLNL/conduit/issues/840 + +LDFLAGS+= -lsysinfo + +WRKSRC_SUBDIR= src + +.include diff --git a/science/ascent/distinfo b/science/ascent/distinfo new file mode 100644 index 000000000000..0750c85222d9 --- /dev/null +++ b/science/ascent/distinfo @@ -0,0 +1,9 @@ +TIMESTAMP = 1631778391 +SHA256 (Alpine-DAV-ascent-v0.7.1_GH0.tar.gz) = 9fd9ab3a54e9684b60c86021a261a4ddab084fff9857f9641e86527bf776ad95 +SIZE (Alpine-DAV-ascent-v0.7.1_GH0.tar.gz) = 60538314 +SHA256 (Alpine-DAV-spack_configs-2ea6c17_GH0.tar.gz) = 133b7d189ab336a28a6f8d6fcdbd82fa6f5c9f3997da8515a1f19252b8680775 +SIZE (Alpine-DAV-spack_configs-2ea6c17_GH0.tar.gz) = 11559 +SHA256 (LLNL-blt-86a7d6b_GH0.tar.gz) = 4298f150e0397367d75795598f4a63cf8c6e29578f9dc907160118fc556d6a3e +SIZE (LLNL-blt-86a7d6b_GH0.tar.gz) = 1180289 +SHA256 (llnl-uberenv-105e384_GH0.tar.gz) = a47a418e53e571a60ef37318e377597b6b2827b38a9eafabca13b8053b50b95a +SIZE (llnl-uberenv-105e384_GH0.tar.gz) = 21667 diff --git a/science/ascent/pkg-descr b/science/ascent/pkg-descr new file mode 100644 index 000000000000..4f5d6b4896bd --- /dev/null +++ b/science/ascent/pkg-descr @@ -0,0 +1,11 @@ +Ascent is an easy-to-use flyweight in situ visualization and analysis library +for HPC simulations. + +It supports: +* Supports: Making Pictures, Transforming Data, and Capturing Data for use + outside of Ascent +* Young effort, yet already includes most common visualization operations +* Provides a simple infrastructure to integrate custom analysis +* Provides C++, C, Python, and Fortran APIs + +WWW: https://ascent.readthedocs.io/en/latest/ diff --git a/science/ascent/pkg-plist b/science/ascent/pkg-plist new file mode 100644 index 000000000000..ee46cc24c314 --- /dev/null +++ b/science/ascent/pkg-plist @@ -0,0 +1,103 @@ +include/ascent/ascent.h +include/ascent/ascent.hpp +include/ascent/ascent.mod +include/ascent/ascent_actions_utils.hpp +include/ascent/ascent_block_timer.hpp +include/ascent/ascent_blueprint_architect.hpp +include/ascent/ascent_conduit_reductions.hpp +include/ascent/ascent_config.h +include/ascent/ascent_data_object.hpp +include/ascent/ascent_empty_runtime.hpp +include/ascent/ascent_exports.h +include/ascent/ascent_expression_eval.hpp +include/ascent/ascent_expression_filters.hpp +include/ascent/ascent_expressions_ast.hpp +include/ascent/ascent_expressions_parser.hpp +include/ascent/ascent_expressions_tokens.hpp +include/ascent/ascent_file_system.hpp +include/ascent/ascent_flow_runtime.hpp +include/ascent/ascent_hola.hpp +include/ascent/ascent_logging.hpp +include/ascent/ascent_main_runtime.hpp +include/ascent/ascent_metadata.hpp +include/ascent/ascent_mpi_utils.hpp +include/ascent/ascent_png_compare.hpp +include/ascent/ascent_png_decoder.hpp +include/ascent/ascent_png_encoder.hpp +include/ascent/ascent_resources.hpp +include/ascent/ascent_resources_cinema_web.hpp +include/ascent/ascent_runtime.hpp +include/ascent/ascent_runtime_blueprint_filters.hpp +include/ascent/ascent_runtime_filters.hpp +include/ascent/ascent_runtime_param_check.hpp +include/ascent/ascent_runtime_query_filters.hpp +include/ascent/ascent_runtime_relay_filters.hpp +include/ascent/ascent_runtime_trigger_filters.hpp +include/ascent/ascent_runtime_utils.hpp +include/ascent/ascent_runtime_vtkh_utils.hpp +include/ascent/ascent_string_utils.hpp +include/ascent/ascent_transmogrifier.hpp +include/ascent/ascent_web_interface.hpp +include/ascent/flow.hpp +include/ascent/flow_builtin_filters.hpp +include/ascent/flow_config.h +include/ascent/flow_data.hpp +include/ascent/flow_exports.h +include/ascent/flow_filter.hpp +include/ascent/flow_filters.hpp +include/ascent/flow_graph.hpp +include/ascent/flow_registry.hpp +include/ascent/flow_timer.hpp +include/ascent/flow_workspace.hpp +lib/cmake/ascent/AscentConfig.cmake +lib/cmake/ascent/AscentConfigVersion.cmake +lib/cmake/ascent/ascent-%%CMAKE_BUILD_TYPE%%.cmake +lib/cmake/ascent/ascent.cmake +lib/cmake/ascent/ascent_setup_deps.cmake +lib/cmake/ascent/ascent_setup_targets.cmake +lib/libascent.so +lib/libascent_flow.so +lib/libascent_lodepng.so +%%DATADIR%%/ascent_config.mk +%%DATADIR%%/web_clients/ascent/index.html +%%DATADIR%%/web_clients/ascent/resources/ascent_style.css +%%DATADIR%%/web_clients/ascent/resources/ascent_wsock.js +%%DATADIR%%/web_clients/ascent/resources/bootstrap-4.0.0-beta.2-dist/css/bootstrap-grid.css +%%DATADIR%%/web_clients/ascent/resources/bootstrap-4.0.0-beta.2-dist/css/bootstrap-grid.css.map +%%DATADIR%%/web_clients/ascent/resources/bootstrap-4.0.0-beta.2-dist/css/bootstrap-grid.min.css 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+%%DATADIR%%/web_clients/ascent/resources/bootstrap-4.0.0-beta.2-dist/js/bootstrap.bundle.js.map +%%DATADIR%%/web_clients/ascent/resources/bootstrap-4.0.0-beta.2-dist/js/bootstrap.bundle.min.js +%%DATADIR%%/web_clients/ascent/resources/bootstrap-4.0.0-beta.2-dist/js/bootstrap.bundle.min.js.map +%%DATADIR%%/web_clients/ascent/resources/bootstrap-4.0.0-beta.2-dist/js/bootstrap.js +%%DATADIR%%/web_clients/ascent/resources/bootstrap-4.0.0-beta.2-dist/js/bootstrap.js.map +%%DATADIR%%/web_clients/ascent/resources/bootstrap-4.0.0-beta.2-dist/js/bootstrap.min.js +%%DATADIR%%/web_clients/ascent/resources/bootstrap-4.0.0-beta.2-dist/js/bootstrap.min.js.map +%%DATADIR%%/web_clients/ascent/resources/jquery-2.1.4.min.js +%%DATADIR%%/web_clients/cinema/cvlib/ASCENT_README.md +%%DATADIR%%/web_clients/cinema/cvlib/README.md +%%DATADIR%%/web_clients/cinema/cvlib/copyright.md +%%DATADIR%%/web_clients/cinema/cvlib/css/cvlib.css +%%DATADIR%%/web_clients/cinema/cvlib/js/ControlsBasic.js +%%DATADIR%%/web_clients/cinema/cvlib/js/ControlsPhiTheta.js +%%DATADIR%%/web_clients/cinema/cvlib/js/Database.js +%%DATADIR%%/web_clients/cinema/cvlib/js/DatabaseSpecA.js +%%DATADIR%%/web_clients/cinema/cvlib/js/DatabaseSpecA_NoAJAX.js +%%DATADIR%%/web_clients/cinema/cvlib/js/Parameter.js +%%DATADIR%%/web_clients/cinema/cvlib/js/QuerySet.js +%%DATADIR%%/web_clients/cinema/cvlib/js/Renderer.js +%%DATADIR%%/web_clients/cinema/cvlib/js/RendererSpecA.js +%%DATADIR%%/web_clients/cinema/cvlib/js/ResultSet.js +%%DATADIR%%/web_clients/cinema/cvlib/js/UIFactory.js +%%DATADIR%%/web_clients/cinema/cvlib/lib/jquery-3.1.1.min.js +%%DATADIR%%/web_clients/cinema/cvlib/license.md +%%DATADIR%%/web_clients/cinema/index.html