diff --git a/science/Makefile b/science/Makefile index 269b4ca052c4..0889a5713634 100644 --- a/science/Makefile +++ b/science/Makefile @@ -1,446 +1,447 @@ COMMENT = Scientific ports SUBDIR += 2d-rewriter SUBDIR += ALPSCore SUBDIR += ChipmunkPhysics 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-ks 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 += chemicalfun SUBDIR += chemps2 SUBDIR += chemtool SUBDIR += chemtool-devel SUBDIR += chimes-calculator 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 += dftd4 SUBDIR += dirac 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 += fleur SUBDIR += frontistr SUBDIR += fsom SUBDIR += fvcom SUBDIR += fvcom-mpi SUBDIR += gabedit SUBDIR += gamess-us SUBDIR += gbtolib 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 += hdf5-110 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 += kplib SUBDIR += kst2 SUBDIR += lammps SUBDIR += lamprop SUBDIR += latte SUBDIR += libaec SUBDIR += libccp4 SUBDIR += libcint SUBDIR += libctl SUBDIR += libecpint SUBDIR += libefp SUBDIR += libgeodecomp SUBDIR += libgetar SUBDIR += libghemical SUBDIR += libgridxc SUBDIR += libint SUBDIR += libint2 SUBDIR += libkml SUBDIR += liblinear SUBDIR += libmbd SUBDIR += libmsym SUBDIR += libnegf SUBDIR += liboglappth SUBDIR += libquantum SUBDIR += libssm SUBDIR += libsvm SUBDIR += libsvm-python SUBDIR += libtensorflow1 SUBDIR += libvdwxc SUBDIR += libxc SUBDIR += liggghts SUBDIR += linux-zotero SUBDIR += luscus SUBDIR += madness SUBDIR += maeparser SUBDIR += massxpert SUBDIR += mbdyn SUBDIR += mcstas SUBDIR += mcstas-comps SUBDIR += mctc-lib SUBDIR += mcxtrace SUBDIR += mcxtrace-comps SUBDIR += mdynamix SUBDIR += medit SUBDIR += meep SUBDIR += metaphysicl SUBDIR += minc2 SUBDIR += mmdb2 SUBDIR += mmtf-cpp SUBDIR += mol2ps SUBDIR += molgif SUBDIR += molscript SUBDIR += molsketch SUBDIR += mopac SUBDIR += mpb SUBDIR += mpqc SUBDIR += msms SUBDIR += mstore SUBDIR += multicharge 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-models SUBDIR += openmc SUBDIR += openmolcas 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 += paraview SUBDIR += pastix SUBDIR += pcmsolver SUBDIR += phonopy SUBDIR += plumed SUBDIR += pnetcdf SUBDIR += precice SUBDIR += psi4 SUBDIR += pulseview SUBDIR += py-DendroPy SUBDIR += py-GPy SUBDIR += py-GPyOpt SUBDIR += py-MDAnalysis SUBDIR += py-MDAnalysisTests SUBDIR += py-OpenFermion SUBDIR += py-OpenFermion-Dirac SUBDIR += py-OpenFermion-PySCF SUBDIR += py-OpenMC SUBDIR += py-PubChemPy SUBDIR += py-PyFR SUBDIR += py-PyNE SUBDIR += py-SimpleSpectral SUBDIR += py-abipy SUBDIR += py-access SUBDIR += py-asap3 SUBDIR += py-asdf SUBDIR += py-asdf-standard SUBDIR += py-asdf-transform-schemas 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-cirq-rigetti SUBDIR += py-coards SUBDIR += py-dimod SUBDIR += py-dipy SUBDIR += py-dlib + SUBDIR += py-dwave-samplers SUBDIR += py-eccodes SUBDIR += py-esda SUBDIR += py-fresnel 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-hoomd-blue SUBDIR += py-inequality SUBDIR += py-jupyter_jsmol SUBDIR += py-kim-query SUBDIR += py-kinematics SUBDIR += py-kliff SUBDIR += py-kpLib SUBDIR += py-liac-arff SUBDIR += py-libgetar 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-py3Dmol SUBDIR += py-pyaixi SUBDIR += py-pyberny SUBDIR += py-pycsw SUBDIR += py-pydicom SUBDIR += py-pygeodesy SUBDIR += py-pygeometa SUBDIR += py-pygmo2 SUBDIR += py-pyked SUBDIR += py-pymatgen SUBDIR += py-pymbd SUBDIR += py-pymol SUBDIR += py-pyosf SUBDIR += py-pyprecice SUBDIR += py-pysal SUBDIR += py-pyscf SUBDIR += py-pyteomics SUBDIR += py-qcelemental SUBDIR += py-qcengine SUBDIR += py-qiskit SUBDIR += py-qiskit-aer SUBDIR += py-qiskit-experiments SUBDIR += py-qiskit-ibm-experiment SUBDIR += py-qiskit-ibm-provider SUBDIR += py-qiskit-ibmq-provider SUBDIR += py-qiskit-nature SUBDIR += py-qiskit-optimization SUBDIR += py-qiskit-terra 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-sklearn-pandas SUBDIR += py-skrebate SUBDIR += py-spaghetti SUBDIR += py-spglib SUBDIR += py-tensorflow SUBDIR += py-thewalrus SUBDIR += py-tobler SUBDIR += py-trainstation SUBDIR += py-tweedledum SUBDIR += py-veusz SUBDIR += pybrain SUBDIR += pynn SUBDIR += q SUBDIR += qbox SUBDIR += qcl SUBDIR += qiskit-aer SUBDIR += qmcpack SUBDIR += quantum-espresso SUBDIR += quantum-espresso-pseudopotentials SUBDIR += quantum-jet 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 += simple-dftd3 SUBDIR += simsmith SUBDIR += smoldyn SUBDIR += sparta SUBDIR += spglib SUBDIR += step SUBDIR += svmlight SUBDIR += tblite SUBDIR += teem SUBDIR += tfel SUBDIR += tfel-edf SUBDIR += thermofun SUBDIR += tinker SUBDIR += trilinos SUBDIR += tweedledum SUBDIR += udunits SUBDIR += ukrmol+ 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 SUBDIR += zotero .include diff --git a/science/py-dwave-samplers/Makefile b/science/py-dwave-samplers/Makefile new file mode 100644 index 000000000000..46b52f29e30f --- /dev/null +++ b/science/py-dwave-samplers/Makefile @@ -0,0 +1,39 @@ +PORTNAME= dwave-samplers +DISTVERSION= 1.0.0.dev1 +CATEGORIES= science graphics # quantum-computing +MASTER_SITES= CHEESESHOP +PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} + +MAINTAINER= yuri@FreeBSD.org +COMMENT= DWave: Classical algorithms for solving binary quadratic models + +LICENSE= APACHE20 +LICENSE_FILE= ${WRKSRC}/LICENSE + +PY_DEPENDS= ${PYTHON_PKGNAMEPREFIX}dimod>0:science/py-dimod@${PY_FLAVOR} \ + ${PYNUMPY} \ + ${PYTHON_PKGNAMEPREFIX}reno>0:textproc/py-reno@${PY_FLAVOR} +BUILD_DEPENDS= ${PY_DEPENDS} +RUN_DEPENDS= ${PY_DEPENDS} + +USES= python:3.7+ +USE_PYTHON= distutils cython + +TEST_ENV= ${MAKE_ENV} PYTHONPATH=${STAGEDIR}${PYTHONPREFIX_SITELIBDIR} + +post-install: + # fix file paths, workaround for https://github.com/dwavesystems/dwave-samplers/issues/31 + @cd ${STAGEDIR}${PYTHON_SITELIBDIR} && ( \ + for f in `${FIND} samplers -name "*.so"`; do \ + echo "YURI moving $$f"; \ + ${MV} $$f dwave/$$f; \ + done; \ + ${RM} -r samplers; \ + ) + # strip binaries + @${FIND} ${STAGEDIR}${PYTHON_SITELIBDIR}/dwave/samplers -name "*${PYTHON_EXT_SUFFIX}.so" | ${XARGS} ${STRIP_CMD} + +do-test: + @${SETENV} ${TEST_ENV} ${PYTHON_CMD} ${FILESDIR}/example.py + +.include diff --git a/science/py-dwave-samplers/distinfo b/science/py-dwave-samplers/distinfo new file mode 100644 index 000000000000..aeff9a31ab27 --- /dev/null +++ b/science/py-dwave-samplers/distinfo @@ -0,0 +1,3 @@ +TIMESTAMP = 1660435305 +SHA256 (dwave-samplers-1.0.0.dev1.tar.gz) = 38ec9299851b37c65a6492e4fab4cd73f9426792f2a7641f66d28e8bc8d25e11 +SIZE (dwave-samplers-1.0.0.dev1.tar.gz) = 890511 diff --git a/science/py-dwave-samplers/files/example.py b/science/py-dwave-samplers/files/example.py new file mode 100644 index 000000000000..bf60934ab7e5 --- /dev/null +++ b/science/py-dwave-samplers/files/example.py @@ -0,0 +1,18 @@ +## +## Tree Decomposition example from README +## + +from dwave.samplers import TreeDecompositionSolver +solver = TreeDecompositionSolver() + +import dimod +import networkx as nx + +tree = nx.balanced_tree(2, 5) # binary tree with a height of five +bqm = dimod.BinaryQuadraticModel('SPIN') +bqm.set_linear(0, .5) +for u, v in tree.edges: + bqm.set_quadratic(u, v, 1) +sampleset = solver.sample(bqm) + +print(sampleset) diff --git a/science/py-dwave-samplers/files/patch-pyproject.toml b/science/py-dwave-samplers/files/patch-pyproject.toml new file mode 100644 index 000000000000..766ddcf3941f --- /dev/null +++ b/science/py-dwave-samplers/files/patch-pyproject.toml @@ -0,0 +1,14 @@ +--- pyproject.toml.orig 2022-08-14 01:10:52 UTC ++++ pyproject.toml +@@ -3,9 +3,9 @@ requires = [ + "setuptools>=46.4.0", # PEP-420 support, PEP-517/518 support, setup.cfg attr: support + "wheel>=0.30.0", # limited python api support + "cython>=0.29.24,<3.0", +- 'dimod==0.11.3', ++ 'dimod>=0.11.3', + 'numpy==1.19.0;python_version<"3.9"', # C API for numpy.random +- 'oldest-supported-numpy;python_version>="3.9"', ++ #'oldest-supported-numpy;python_version>="3.9"', + ] + build-backend = "setuptools.build_meta" + diff --git a/science/py-dwave-samplers/pkg-descr b/science/py-dwave-samplers/pkg-descr new file mode 100644 index 000000000000..e580bf99ce0d --- /dev/null +++ b/science/py-dwave-samplers/pkg-descr @@ -0,0 +1,17 @@ +Ocean software provides a variety of quantum, classical, and quantum-classical +dimod samplers that run either remotely (for example, in D-Wave's Leap +environment) or locally on your CPU. + +dwave-samplers implements the following classical algorithms for solving binary +quadratic models (BQM): +* Random: a sampler that draws uniform random samples. +* Simulated Annealing: a probabilistic heuristic for optimization and + approximate Boltzmann sampling well suited to finding good solutions of large + problems. +* Steepest Descent: a discrete analogue of gradient descent, often used in + machine learning, that quickly finds a local minimum. +* Tabu: a heuristic that employs local search with methods to escape local + minima. +* Tree Decomposition: an exact solver for problems with low treewidth. + +WWW: https://github.com/dwavesystems/dwave-samplers diff --git a/science/py-dwave-samplers/pkg-plist b/science/py-dwave-samplers/pkg-plist new file mode 100644 index 000000000000..036967b37442 --- /dev/null +++ b/science/py-dwave-samplers/pkg-plist @@ -0,0 +1,99 @@ +%%PYTHON_SITELIBDIR%%/dwave/samplers/__init__.py +%%PYTHON_SITELIBDIR%%/dwave/samplers/__pycache__/__init__%%PYTHON_EXT_SUFFIX%%.opt-1.pyc +%%PYTHON_SITELIBDIR%%/dwave/samplers/__pycache__/__init__%%PYTHON_EXT_SUFFIX%%.pyc +%%PYTHON_SITELIBDIR%%/dwave/samplers/greedy/__init__.py +%%PYTHON_SITELIBDIR%%/dwave/samplers/greedy/__pycache__/__init__%%PYTHON_EXT_SUFFIX%%.opt-1.pyc +%%PYTHON_SITELIBDIR%%/dwave/samplers/greedy/__pycache__/__init__%%PYTHON_EXT_SUFFIX%%.pyc +%%PYTHON_SITELIBDIR%%/dwave/samplers/greedy/__pycache__/composite%%PYTHON_EXT_SUFFIX%%.opt-1.pyc +%%PYTHON_SITELIBDIR%%/dwave/samplers/greedy/__pycache__/composite%%PYTHON_EXT_SUFFIX%%.pyc +%%PYTHON_SITELIBDIR%%/dwave/samplers/greedy/__pycache__/sampler%%PYTHON_EXT_SUFFIX%%.opt-1.pyc +%%PYTHON_SITELIBDIR%%/dwave/samplers/greedy/__pycache__/sampler%%PYTHON_EXT_SUFFIX%%.pyc +%%PYTHON_SITELIBDIR%%/dwave/samplers/greedy/composite.py 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