diff --git a/science/Makefile b/science/Makefile index f162a787bc68..64432059faa6 100644 --- a/science/Makefile +++ b/science/Makefile @@ -1,550 +1,551 @@ COMMENT = Scientific ports SUBDIR += 2d-rewriter SUBDIR += ALPSCore SUBDIR += ChipmunkPhysics SUBDIR += InsightToolkit SUBDIR += InsightToolkit501 SUBDIR += PETSc 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-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 += acados SUBDIR += afni SUBDIR += agrum SUBDIR += aircraft-datcom SUBDIR += antioch SUBDIR += apbs SUBDIR += arbor SUBDIR += ascent SUBDIR += atompaw SUBDIR += avogadro2 SUBDIR += avogadrolibs SUBDIR += axom SUBDIR += bagel SUBDIR += bddsolve SUBDIR += berkeleygw SUBDIR += bodr SUBDIR += bout++ SUBDIR += bout++-merging-filaments SUBDIR += buddy SUBDIR += cantera SUBDIR += cardioid 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 += cif-tools SUBDIR += clhep SUBDIR += clipper SUBDIR += code_saturne SUBDIR += conduit SUBDIR += coordgenlibs SUBDIR += cp2k SUBDIR += cp2k-data SUBDIR += cpcmx SUBDIR += csvtk SUBDIR += dakota SUBDIR += dalton SUBDIR += dd_package SUBDIR += devisor SUBDIR += dftbplus SUBDIR += dftd3 SUBDIR += dftd4 SUBDIR += dimod SUBDIR += dirac SUBDIR += dkh SUBDIR += dlib-cpp SUBDIR += drawxtl SUBDIR += dssp SUBDIR += dwave-preprocessing 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 += feff10 SUBDIR += fleur SUBDIR += frontistr SUBDIR += fsom SUBDIR += fvcom SUBDIR += fvcom-mpi SUBDIR += gabedit SUBDIR += gamess-us SUBDIR += gbtolib SUBDIR += gchemutils SUBDIR += gcp SUBDIR += gdma SUBDIR += geant4 SUBDIR += gemmi SUBDIR += getdp SUBDIR += ghemical SUBDIR += ghmm SUBDIR += gnudatalanguage SUBDIR += gpaw-setups SUBDIR += gramps SUBDIR += gromacs SUBDIR += gsmc SUBDIR += h5utils SUBDIR += h5z-zfp SUBDIR += harminv SUBDIR += hdf SUBDIR += hdf5 SUBDIR += hdf5-110 SUBDIR += hdf5-18 SUBDIR += hdf5-21 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 += kst SUBDIR += lammps SUBDIR += lamprop SUBDIR += latte SUBDIR += libaec SUBDIR += libccp4 SUBDIR += libcifpp SUBDIR += libcint SUBDIR += libctl SUBDIR += libecpint SUBDIR += libefp SUBDIR += libgetar SUBDIR += libghemical SUBDIR += libgridxc SUBDIR += libint SUBDIR += libint2 SUBDIR += libint2-psi4 SUBDIR += libkml SUBDIR += liblinear SUBDIR += libmbd SUBDIR += libminc SUBDIR += libmsym SUBDIR += libnegf SUBDIR += liboglappth SUBDIR += libpsml SUBDIR += libquantum SUBDIR += libssm SUBDIR += libsvm SUBDIR += libsvm-python SUBDIR += libvdwxc SUBDIR += libxc SUBDIR += liggghts SUBDIR += linearelasticity SUBDIR += linux-ai-ml-env SUBDIR += linux-zotero SUBDIR += luscus SUBDIR += m-aneos SUBDIR += madness SUBDIR += maeparser SUBDIR += massxpert SUBDIR += mbdyn SUBDIR += mcpl SUBDIR += mcstas SUBDIR += mcstas-comps SUBDIR += mctc-lib SUBDIR += mcxtrace SUBDIR += mcxtrace-comps SUBDIR += mdynamix SUBDIR += medit SUBDIR += meep SUBDIR += metaphysicl SUBDIR += minc-tools SUBDIR += mmdb2 SUBDIR += mmg SUBDIR += mmtf-cpp SUBDIR += mol2ps SUBDIR += molgif SUBDIR += molscript SUBDIR += molsketch SUBDIR += moltui SUBDIR += mopac SUBDIR += mp2d SUBDIR += mpb SUBDIR += mpqc SUBDIR += mrchem SUBDIR += mrcpp SUBDIR += msms SUBDIR += mstore SUBDIR += multicharge SUBDIR += multiwfn SUBDIR += mutationpp SUBDIR += namd SUBDIR += ncrystal SUBDIR += neko SUBDIR += nest SUBDIR += netcdf SUBDIR += netcdf-cxx SUBDIR += netcdf-fortran SUBDIR += nifticlib SUBDIR += nlcglib SUBDIR += numsa SUBDIR += nwchem SUBDIR += nwchem-data SUBDIR += ocean SUBDIR += octopus SUBDIR += openbabel SUBDIR += openems SUBDIR += openkim-models SUBDIR += openmc SUBDIR += openmodelica SUBDIR += openmolcas SUBDIR += openmx SUBDIR += opensim-core SUBDIR += opensph SUBDIR += opsin SUBDIR += optench SUBDIR += orthanc SUBDIR += orthanc-dicomweb SUBDIR += orthanc-mysql SUBDIR += orthanc-postgresql SUBDIR += orthanc-webviewer 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-OpenSMILES SUBDIR += p5-Chemistry-Pattern SUBDIR += p5-Chemistry-Reaction SUBDIR += p5-Chemistry-Ring SUBDIR += p5-Geo-BUFR SUBDIR += p5-Geo-Calc SUBDIR += p5-Geo-Coordinates-Converter SUBDIR += p5-Geo-Coordinates-Converter-iArea SUBDIR += p5-Geo-Coordinates-Transform 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 += parthenon SUBDIR += pastix SUBDIR += pcmsolver SUBDIR += phonopy SUBDIR += plumed SUBDIR += pnetcdf SUBDIR += polytope SUBDIR += precice SUBDIR += psi4 SUBDIR += pulseview SUBDIR += py-GPy SUBDIR += py-GPyOpt SUBDIR += py-HepMC3 SUBDIR += py-HofstadterTools 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-arbor SUBDIR += py-arch SUBDIR += py-asap3 SUBDIR += py-asdf SUBDIR += py-asdf-standard SUBDIR += py-asdf-transform-schemas SUBDIR += py-ase SUBDIR += py-atomium SUBDIR += py-avogadrolibs SUBDIR += py-boutdata SUBDIR += py-boututils SUBDIR += py-cdo SUBDIR += py-cfgrib 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-web SUBDIR += py-coards SUBDIR += py-corner SUBDIR += py-dftbplus SUBDIR += py-dftd4 SUBDIR += py-dimod SUBDIR += py-dipy SUBDIR += py-dlib SUBDIR += py-dwave-cloud-client SUBDIR += py-dwave-gate SUBDIR += py-dwave-greedy SUBDIR += py-dwave-hybrid SUBDIR += py-dwave-inspector SUBDIR += py-dwave-neal SUBDIR += py-dwave-networkx SUBDIR += py-dwave-ocean-sdk SUBDIR += py-dwave-optimization SUBDIR += py-dwave-preprocessing SUBDIR += py-dwave-samplers SUBDIR += py-dwave-system SUBDIR += py-dwave-tabu SUBDIR += py-dwavebinarycsp SUBDIR += py-earthpy SUBDIR += py-eccodes SUBDIR += py-emmet-core SUBDIR += py-esda SUBDIR += py-fresnel SUBDIR += py-gemmi SUBDIR += py-geolinks SUBDIR += py-geomet SUBDIR += py-geometer SUBDIR += py-geometric SUBDIR += py-gpaw SUBDIR += py-gsd SUBDIR += py-gwlearn SUBDIR += py-h5json SUBDIR += py-h5netcdf SUBDIR += py-h5py SUBDIR += py-h5pyd SUBDIR += py-hdmf SUBDIR += py-hiPhive SUBDIR += py-hoomd-blue SUBDIR += py-icet SUBDIR += py-igor2 SUBDIR += py-inequality SUBDIR += py-ipygany SUBDIR += py-jupyter_jsmol SUBDIR += py-kim-query SUBDIR += py-kimpy SUBDIR += py-kinematics SUBDIR += py-kliff SUBDIR += py-klusta SUBDIR += py-kpLib SUBDIR += py-liac-arff SUBDIR += py-libgetar SUBDIR += py-libpysal SUBDIR += py-lifelines SUBDIR += py-mdp SUBDIR += py-mercantile SUBDIR += py-meshio SUBDIR += py-mmcif SUBDIR += py-mmtf-python SUBDIR += py-mne SUBDIR += py-molmod SUBDIR += py-morphio SUBDIR += py-mp-api SUBDIR += py-mpcontribs-client SUBDIR += py-mplhep SUBDIR += py-mplhep-data SUBDIR += py-mrchem SUBDIR += py-ncrystal SUBDIR += py-neo SUBDIR += py-netCDF4 SUBDIR += py-netcdf-flattener SUBDIR += py-nglview SUBDIR += py-nibabel SUBDIR += py-nixio SUBDIR += py-obspy SUBDIR += py-oddt SUBDIR += py-openEMS SUBDIR += py-openbabel SUBDIR += py-openpiv SUBDIR += py-optking SUBDIR += py-paida SUBDIR += py-paramz SUBDIR += py-penaltymodel SUBDIR += py-periodictable SUBDIR += py-phono3py SUBDIR += py-phonopy + SUBDIR += py-phonors SUBDIR += py-plumed SUBDIR += py-pnetcdf SUBDIR += py-probeinterface SUBDIR += py-pupynere SUBDIR += py-py3Dmol SUBDIR += py-pyaixi SUBDIR += py-pyberny SUBDIR += py-pycsw SUBDIR += py-pydicom SUBDIR += py-pydoe SUBDIR += py-pygeodesy SUBDIR += py-pygeometa SUBDIR += py-pygmo2 SUBDIR += py-pyked SUBDIR += py-pymatgen SUBDIR += py-pymatgen-analysis-alloys SUBDIR += py-pymatgen-core SUBDIR += py-pymbd SUBDIR += py-pymol SUBDIR += py-pynrrd SUBDIR += py-pynwb SUBDIR += py-pyosf SUBDIR += py-pyphot SUBDIR += py-pyprecice SUBDIR += py-pyqubo SUBDIR += py-pysal SUBDIR += py-pyscf SUBDIR += py-pyteomics SUBDIR += py-qcelemental SUBDIR += py-qcengine SUBDIR += py-qcmanybody SUBDIR += py-qiskit SUBDIR += py-qspin SUBDIR += py-quantities SUBDIR += py-rmf SUBDIR += py-rmsd SUBDIR += py-ruffus SUBDIR += py-sarpy 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-sdf SUBDIR += py-seekpath SUBDIR += py-segregation SUBDIR += py-segyio SUBDIR += py-signac SUBDIR += py-sklearn-pandas SUBDIR += py-skrebate SUBDIR += py-spaghetti SUBDIR += py-spglib SUBDIR += py-spml SUBDIR += py-symfc SUBDIR += py-tensorflow SUBDIR += py-thewalrus SUBDIR += py-tobler SUBDIR += py-trainstation SUBDIR += py-trx-python SUBDIR += py-tweedledum SUBDIR += py-vedo SUBDIR += py-veusz SUBDIR += py-xbout SUBDIR += pybrain SUBDIR += pynn SUBDIR += q SUBDIR += qbox SUBDIR += qcl SUBDIR += qiskit-aer SUBDIR += qmcpack SUBDIR += qt6-quick3dphysics 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-netcdf SUBDIR += salome-configuration SUBDIR += salome-kernel SUBDIR += scidavis SUBDIR += sciplot SUBDIR += seacas SUBDIR += segyio SUBDIR += serac 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 += sirius SUBDIR += smoldyn SUBDIR += sparta SUBDIR += spglib SUBDIR += spheral SUBDIR += step SUBDIR += sz3 SUBDIR += tblite SUBDIR += teem SUBDIR += tfel SUBDIR += tfel-edf SUBDIR += thermofun SUBDIR += tinker SUBDIR += trilinos SUBDIR += ttk 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-phonors/Makefile b/science/py-phonors/Makefile new file mode 100644 index 000000000000..340d4965a1b4 --- /dev/null +++ b/science/py-phonors/Makefile @@ -0,0 +1,114 @@ +PORTNAME= phonors +DISTVERSION= 0.3.0 +CATEGORIES= science python +MASTER_SITES= PYPI +PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} + +MAINTAINER= yuri@FreeBSD.org +COMMENT= Rust kernels for phonopy and phono3py +WWW= https://github.com/phonopy/phonors + +LICENSE= BSD3CLAUSE +LICENSE_FILE= ${WRKSRC}/LICENSE + +BUILD_DEPENDS= ${PYTHON_PKGNAMEPREFIX}maturin>=1.7<2:devel/py-maturin@${PY_FLAVOR} + +USES= cargo python +USE_PYTHON= pep517 autoplist + +# Workaround to keep the PyPI source tarball alongside the cargo crates. +DISTFILES= ${DISTNAME}${EXTRACT_SUFX} + +CARGO_BUILD= no +CARGO_INSTALL= no +CARGO_TEST= no +CARGO_TARGET_DIR= ${WRKSRC}/target + +CARGO_CRATES= autocfg-1.5.1 \ + bitflags-2.13.0 \ + bytemuck-1.25.0 \ + bytemuck_derive-1.10.2 \ + byteorder-1.5.0 \ + cfg-if-1.0.4 \ + crossbeam-deque-0.8.6 \ + crossbeam-epoch-0.9.18 \ + crossbeam-utils-0.8.21 \ + crunchy-0.2.4 \ + defer-0.2.1 \ + dyn-stack-0.13.2 \ + dyn-stack-macros-0.1.3 \ + either-1.16.0 \ + enum-as-inner-0.6.1 \ + equator-0.2.2 \ + equator-0.6.0 \ + equator-macro-0.2.1 \ + equator-macro-0.6.0 \ + faer-0.24.4 \ + faer-traits-0.24.0 \ + gemm-0.19.0 \ + gemm-c32-0.19.0 \ + gemm-c64-0.19.0 \ + gemm-common-0.19.0 \ + gemm-f16-0.19.0 \ + gemm-f32-0.19.0 \ + gemm-f64-0.19.0 \ + generativity-1.2.1 \ + half-2.7.1 \ + heck-0.5.0 \ + hermit-abi-0.5.2 \ + interpol-0.2.1 \ + libc-0.2.186 \ + libm-0.2.16 \ + matrixmultiply-0.3.10 \ + nano-gemm-0.2.2 \ + nano-gemm-c32-0.2.1 \ + nano-gemm-c64-0.2.1 \ + nano-gemm-codegen-0.2.1 \ + nano-gemm-core-0.2.1 \ + nano-gemm-f32-0.2.1 \ + nano-gemm-f64-0.2.1 \ + ndarray-0.17.2 \ + num-complex-0.4.6 \ + num-integer-0.1.46 \ + num-traits-0.2.19 \ + num_cpus-1.17.0 \ + numpy-0.28.0 \ + once_cell-1.21.4 \ + paste-1.0.15 \ + portable-atomic-1.13.1 \ + portable-atomic-util-0.2.7 \ + private-gemm-x86-0.1.20 \ + proc-macro2-1.0.106 \ + pulp-0.22.3 \ + pulp-wasm-simd-flag-0.1.1 \ + pyo3-0.28.3 \ + pyo3-build-config-0.28.3 \ + pyo3-ffi-0.28.3 \ + pyo3-macros-0.28.3 \ + pyo3-macros-backend-0.28.3 \ + qd-0.8.0 \ + quote-1.0.46 \ + raw-cpuid-11.6.0 \ + rawpointer-0.2.1 \ + rayon-1.12.0 \ + rayon-core-1.13.0 \ + reborrow-0.5.5 \ + rustc-hash-2.1.2 \ + same-file-1.0.6 \ + seq-macro-0.3.6 \ + syn-1.0.109 \ + syn-2.0.118 \ + sysctl-0.6.0 \ + target-lexicon-0.13.5 \ + thiserror-1.0.69 \ + thiserror-impl-1.0.69 \ + unicode-ident-1.0.24 \ + version_check-0.9.5 \ + walkdir-2.5.0 \ + winapi-util-0.1.11 \ + windows-link-0.2.1 \ + windows-sys-0.61.2 \ + zerocopy-0.8.52 \ + zerocopy-derive-0.8.52 + +.include diff --git a/science/py-phonors/distinfo b/science/py-phonors/distinfo new file mode 100644 index 000000000000..347a09359c43 --- /dev/null +++ b/science/py-phonors/distinfo @@ -0,0 +1,175 @@ +TIMESTAMP = 1782631989 +SHA256 (phonors-0.3.0.tar.gz) = 10d8111c1ce509235b9154b861a193a21559d6da0b0363ef9e41ffa9746f3599 +SIZE (phonors-0.3.0.tar.gz) = 129465 +SHA256 (rust/crates/autocfg-1.5.1.crate) = f2032f911046de80f0a198e0901378627c33f59ea0ac00e363d481118bd70a53 +SIZE (rust/crates/autocfg-1.5.1.crate) = 18911 +SHA256 (rust/crates/bitflags-2.13.0.crate) = b4388bee8683e3d04af747c73422af53102d2bd24d9eadb6cbc100baef4b43f8 +SIZE (rust/crates/bitflags-2.13.0.crate) = 51280 +SHA256 (rust/crates/bytemuck-1.25.0.crate) = c8efb64bd706a16a1bdde310ae86b351e4d21550d98d056f22f8a7f7a2183fec +SIZE (rust/crates/bytemuck-1.25.0.crate) = 53466 +SHA256 (rust/crates/bytemuck_derive-1.10.2.crate) = f9abbd1bc6865053c427f7198e6af43bfdedc55ab791faed4fbd361d789575ff +SIZE (rust/crates/bytemuck_derive-1.10.2.crate) = 25678 +SHA256 (rust/crates/byteorder-1.5.0.crate) = 1fd0f2584146f6f2ef48085050886acf353beff7305ebd1ae69500e27c67f64b +SIZE (rust/crates/byteorder-1.5.0.crate) = 23288 +SHA256 (rust/crates/cfg-if-1.0.4.crate) = 9330f8b2ff13f34540b44e946ef35111825727b38d33286ef986142615121801 +SIZE (rust/crates/cfg-if-1.0.4.crate) = 9360 +SHA256 (rust/crates/crossbeam-deque-0.8.6.crate) = 9dd111b7b7f7d55b72c0a6ae361660ee5853c9af73f70c3c2ef6858b950e2e51 +SIZE (rust/crates/crossbeam-deque-0.8.6.crate) = 22471 +SHA256 (rust/crates/crossbeam-epoch-0.9.18.crate) = 5b82ac4a3c2ca9c3460964f020e1402edd5753411d7737aa39c3714ad1b5420e +SIZE (rust/crates/crossbeam-epoch-0.9.18.crate) = 46875 +SHA256 (rust/crates/crossbeam-utils-0.8.21.crate) = d0a5c400df2834b80a4c3327b3aad3a4c4cd4de0629063962b03235697506a28 +SIZE (rust/crates/crossbeam-utils-0.8.21.crate) = 42691 +SHA256 (rust/crates/crunchy-0.2.4.crate) = 460fbee9c2c2f33933d720630a6a0bac33ba7053db5344fac858d4b8952d77d5 +SIZE (rust/crates/crunchy-0.2.4.crate) = 3887 +SHA256 (rust/crates/defer-0.2.1.crate) = 930c7171c8df9fb1782bdf9b918ed9ed2d33d1d22300abb754f9085bc48bf8e8 +SIZE (rust/crates/defer-0.2.1.crate) = 6174 +SHA256 (rust/crates/dyn-stack-0.13.2.crate) = 1c4713e43e2886ba72b8271aa66c93d722116acf7a75555cce11dcde84388fe8 +SIZE (rust/crates/dyn-stack-0.13.2.crate) = 21524 +SHA256 (rust/crates/dyn-stack-macros-0.1.3.crate) = e1d926b4d407d372f141f93bb444696142c29d32962ccbd3531117cf3aa0bfa9 +SIZE (rust/crates/dyn-stack-macros-0.1.3.crate) = 3048 +SHA256 (rust/crates/either-1.16.0.crate) = 91622ff5e7162018101f2fea40d6ebf4a78bbe5a49736a2020649edf9693679e +SIZE (rust/crates/either-1.16.0.crate) = 21248 +SHA256 (rust/crates/enum-as-inner-0.6.1.crate) = a1e6a265c649f3f5979b601d26f1d05ada116434c87741c9493cb56218f76cbc +SIZE (rust/crates/enum-as-inner-0.6.1.crate) = 12190 +SHA256 (rust/crates/equator-0.2.2.crate) = c35da53b5a021d2484a7cc49b2ac7f2d840f8236a286f84202369bd338d761ea +SIZE (rust/crates/equator-0.2.2.crate) = 4943 +SHA256 (rust/crates/equator-0.6.0.crate) = 02da895aab06bbebefb6b2595f6d637b18c9ff629b4cd840965bb3164e4194b0 +SIZE (rust/crates/equator-0.6.0.crate) = 6874 +SHA256 (rust/crates/equator-macro-0.2.1.crate) = 3bf679796c0322556351f287a51b49e48f7c4986e727b5dd78c972d30e2e16cc +SIZE (rust/crates/equator-macro-0.2.1.crate) = 4084 +SHA256 (rust/crates/equator-macro-0.6.0.crate) = 2b14b339eb76d07f052cdbad76ca7c1310e56173a138095d3bf42a23c06ef5d8 +SIZE (rust/crates/equator-macro-0.6.0.crate) = 3644 +SHA256 (rust/crates/faer-0.24.4.crate) = 5ab6df3dd147fe8d702a288b95bcd8fcc499ab572fc80da6828f60cd4d524d67 +SIZE (rust/crates/faer-0.24.4.crate) = 1897499 +SHA256 (rust/crates/faer-traits-0.24.0.crate) = b87d23ed7ab1f26c0cba0e5b9e061a796fbb7dc170fa8bee6970055a1308bb0f +SIZE (rust/crates/faer-traits-0.24.0.crate) = 16022 +SHA256 (rust/crates/gemm-0.19.0.crate) = aa0673db364b12263d103b68337a68fbecc541d6f6b61ba72fe438654709eacb +SIZE (rust/crates/gemm-0.19.0.crate) = 20203 +SHA256 (rust/crates/gemm-c32-0.19.0.crate) = 086936dbdcb99e37aad81d320f98f670e53c1e55a98bee70573e83f95beb128c +SIZE (rust/crates/gemm-c32-0.19.0.crate) = 7461 +SHA256 (rust/crates/gemm-c64-0.19.0.crate) = 20c8aeeeec425959bda4d9827664029ba1501a90a0d1e6228e48bef741db3a3f +SIZE (rust/crates/gemm-c64-0.19.0.crate) = 7358 +SHA256 (rust/crates/gemm-common-0.19.0.crate) = 88027625910cc9b1085aaaa1c4bc46bb3a36aad323452b33c25b5e4e7c8e2a3e +SIZE (rust/crates/gemm-common-0.19.0.crate) = 31225 +SHA256 (rust/crates/gemm-f16-0.19.0.crate) = e3df7a55202e6cd6739d82ae3399c8e0c7e1402859b30e4cb780e61525d9486e +SIZE (rust/crates/gemm-f16-0.19.0.crate) = 11181 +SHA256 (rust/crates/gemm-f32-0.19.0.crate) = 02e0b8c9da1fbec6e3e3ab2ce6bc259ef18eb5f6f0d3e4edf54b75f9fd41a81c +SIZE (rust/crates/gemm-f32-0.19.0.crate) = 7017 +SHA256 (rust/crates/gemm-f64-0.19.0.crate) = 056131e8f2a521bfab322f804ccd652520c79700d81209e9d9275bbdecaadc6a +SIZE (rust/crates/gemm-f64-0.19.0.crate) = 6896 +SHA256 (rust/crates/generativity-1.2.1.crate) = d2c81fb5260e37854d09d5c87183309fd8c555b75289427884b25660bc87a85e +SIZE (rust/crates/generativity-1.2.1.crate) = 15911 +SHA256 (rust/crates/half-2.7.1.crate) = 6ea2d84b969582b4b1864a92dc5d27cd2b77b622a8d79306834f1be5ba20d84b +SIZE (rust/crates/half-2.7.1.crate) = 61040 +SHA256 (rust/crates/heck-0.5.0.crate) = 2304e00983f87ffb38b55b444b5e3b60a884b5d30c0fca7d82fe33449bbe55ea +SIZE (rust/crates/heck-0.5.0.crate) = 11517 +SHA256 (rust/crates/hermit-abi-0.5.2.crate) = fc0fef456e4baa96da950455cd02c081ca953b141298e41db3fc7e36b1da849c +SIZE (rust/crates/hermit-abi-0.5.2.crate) = 17435 +SHA256 (rust/crates/interpol-0.2.1.crate) = eb58032ba748f4010d15912a1855a8a0b1ba9eaad3395b0c171c09b3b356ae50 +SIZE (rust/crates/interpol-0.2.1.crate) = 3940 +SHA256 (rust/crates/libc-0.2.186.crate) = 68ab91017fe16c622486840e4c83c9a37afeff978bd239b5293d61ece587de66 +SIZE (rust/crates/libc-0.2.186.crate) = 821883 +SHA256 (rust/crates/libm-0.2.16.crate) = b6d2cec3eae94f9f509c767b45932f1ada8350c4bdb85af2fcab4a3c14807981 +SIZE (rust/crates/libm-0.2.16.crate) = 164243 +SHA256 (rust/crates/matrixmultiply-0.3.10.crate) = a06de3016e9fae57a36fd14dba131fccf49f74b40b7fbdb472f96e361ec71a08 +SIZE (rust/crates/matrixmultiply-0.3.10.crate) = 58170 +SHA256 (rust/crates/nano-gemm-0.2.2.crate) = 9e04345dc84b498ff89fe0d38543d1f170da9e43a2c2bcee73a0f9069f72d081 +SIZE (rust/crates/nano-gemm-0.2.2.crate) = 23495 +SHA256 (rust/crates/nano-gemm-c32-0.2.1.crate) = 0775b1e2520e64deee8fc78b7732e3091fb7585017c0b0f9f4b451757bbbc562 +SIZE (rust/crates/nano-gemm-c32-0.2.1.crate) = 2169 +SHA256 (rust/crates/nano-gemm-c64-0.2.1.crate) = 9af49a20d58816e6b5ee65f64142e50edb5eba152678d4bb7377fcbf63f8437a +SIZE (rust/crates/nano-gemm-c64-0.2.1.crate) = 2090 +SHA256 (rust/crates/nano-gemm-codegen-0.2.1.crate) = 6cc8d495c791627779477a2cf5df60049f5b165342610eb0d76bee5ff5c5d74c +SIZE (rust/crates/nano-gemm-codegen-0.2.1.crate) = 7301 +SHA256 (rust/crates/nano-gemm-core-0.2.1.crate) = d998dfa644de87a0f8660e5ea511d7cb5c33b5a2d9847b7af57a2565105089f0 +SIZE (rust/crates/nano-gemm-core-0.2.1.crate) = 1185 +SHA256 (rust/crates/nano-gemm-f32-0.2.1.crate) = 879d962e79bc8952e4ad21ca4845a21132540ed3f5e01184b2ff7f720e666523 +SIZE (rust/crates/nano-gemm-f32-0.2.1.crate) = 1773 +SHA256 (rust/crates/nano-gemm-f64-0.2.1.crate) = b9a513473dce7dc00c7e7c318481ca4494034e76997218d8dad51bd9f007a815 +SIZE (rust/crates/nano-gemm-f64-0.2.1.crate) = 1707 +SHA256 (rust/crates/ndarray-0.17.2.crate) = 520080814a7a6b4a6e9070823bb24b4531daac8c4627e08ba5de8c5ef2f2752d +SIZE (rust/crates/ndarray-0.17.2.crate) = 243631 +SHA256 (rust/crates/num-complex-0.4.6.crate) = 73f88a1307638156682bada9d7604135552957b7818057dcef22705b4d509495 +SIZE (rust/crates/num-complex-0.4.6.crate) = 30352 +SHA256 (rust/crates/num-integer-0.1.46.crate) = 7969661fd2958a5cb096e56c8e1ad0444ac2bbcd0061bd28660485a44879858f +SIZE (rust/crates/num-integer-0.1.46.crate) = 22331 +SHA256 (rust/crates/num-traits-0.2.19.crate) = 071dfc062690e90b734c0b2273ce72ad0ffa95f0c74596bc250dcfd960262841 +SIZE (rust/crates/num-traits-0.2.19.crate) = 51631 +SHA256 (rust/crates/num_cpus-1.17.0.crate) = 91df4bbde75afed763b708b7eee1e8e7651e02d97f6d5dd763e89367e957b23b +SIZE (rust/crates/num_cpus-1.17.0.crate) = 15874 +SHA256 (rust/crates/numpy-0.28.0.crate) = 778da78c64ddc928ebf5ad9df5edf0789410ff3bdbf3619aed51cd789a6af1e2 +SIZE (rust/crates/numpy-0.28.0.crate) = 80455 +SHA256 (rust/crates/once_cell-1.21.4.crate) = 9f7c3e4beb33f85d45ae3e3a1792185706c8e16d043238c593331cc7cd313b50 +SIZE (rust/crates/once_cell-1.21.4.crate) = 35010 +SHA256 (rust/crates/paste-1.0.15.crate) = 57c0d7b74b563b49d38dae00a0c37d4d6de9b432382b2892f0574ddcae73fd0a +SIZE (rust/crates/paste-1.0.15.crate) = 18374 +SHA256 (rust/crates/portable-atomic-1.13.1.crate) = c33a9471896f1c69cecef8d20cbe2f7accd12527ce60845ff44c153bb2a21b49 +SIZE (rust/crates/portable-atomic-1.13.1.crate) = 197001 +SHA256 (rust/crates/portable-atomic-util-0.2.7.crate) = c2a106d1259c23fac8e543272398ae0e3c0b8d33c88ed73d0cc71b0f1d902618 +SIZE (rust/crates/portable-atomic-util-0.2.7.crate) = 53577 +SHA256 (rust/crates/private-gemm-x86-0.1.20.crate) = 0af8c3e5087969c323f667ccb4b789fa0954f5aa650550e38e81cf9108be21b5 +SIZE (rust/crates/private-gemm-x86-0.1.20.crate) = 48824 +SHA256 (rust/crates/proc-macro2-1.0.106.crate) = 8fd00f0bb2e90d81d1044c2b32617f68fcb9fa3bb7640c23e9c748e53fb30934 +SIZE (rust/crates/proc-macro2-1.0.106.crate) = 59765 +SHA256 (rust/crates/pulp-0.22.3.crate) = 046aa45b989642ec2e4717c8e72d677b13edd831a4d3b6cf37d9a3e54912496a +SIZE (rust/crates/pulp-0.22.3.crate) = 147931 +SHA256 (rust/crates/pulp-wasm-simd-flag-0.1.1.crate) = 1d8f70e07b9c3962945a74e59ca1c511bba65b6419468acc217c457d93f3c740 +SIZE (rust/crates/pulp-wasm-simd-flag-0.1.1.crate) = 2308 +SHA256 (rust/crates/pyo3-0.28.3.crate) = 91fd8e38a3b50ed1167fb981cd6fd60147e091784c427b8f7183a7ee32c31c12 +SIZE (rust/crates/pyo3-0.28.3.crate) = 1204476 +SHA256 (rust/crates/pyo3-build-config-0.28.3.crate) = e368e7ddfdeb98c9bca7f8383be1648fd84ab466bf2bc015e94008db6d35611e +SIZE (rust/crates/pyo3-build-config-0.28.3.crate) = 35961 +SHA256 (rust/crates/pyo3-ffi-0.28.3.crate) = 7f29e10af80b1f7ccaf7f69eace800a03ecd13e883acfacc1e5d0988605f651e +SIZE (rust/crates/pyo3-ffi-0.28.3.crate) = 80881 +SHA256 (rust/crates/pyo3-macros-0.28.3.crate) = df6e520eff47c45997d2fc7dd8214b25dd1310918bbb2642156ef66a67f29813 +SIZE (rust/crates/pyo3-macros-0.28.3.crate) = 8963 +SHA256 (rust/crates/pyo3-macros-backend-0.28.3.crate) = c4cdc218d835738f81c2338f822078af45b4afdf8b2e33cbb5916f108b813acb +SIZE (rust/crates/pyo3-macros-backend-0.28.3.crate) = 88063 +SHA256 (rust/crates/qd-0.8.0.crate) = 15f1304a5aecdcfe9ee72fbba90aa37b3aa067a69d14cb7f3d9deada0be7c07c +SIZE (rust/crates/qd-0.8.0.crate) = 10079 +SHA256 (rust/crates/quote-1.0.46.crate) = dfbc457d0c7a0759a614551b11a6409e5951f6c7537be1f1b7682b9ae9230368 +SIZE (rust/crates/quote-1.0.46.crate) = 31628 +SHA256 (rust/crates/raw-cpuid-11.6.0.crate) = 498cd0dc59d73224351ee52a95fee0f1a617a2eae0e7d9d720cc622c73a54186 +SIZE (rust/crates/raw-cpuid-11.6.0.crate) = 117569 +SHA256 (rust/crates/rawpointer-0.2.1.crate) = 60a357793950651c4ed0f3f52338f53b2f809f32d83a07f72909fa13e4c6c1e3 +SIZE (rust/crates/rawpointer-0.2.1.crate) = 7490 +SHA256 (rust/crates/rayon-1.12.0.crate) = fb39b166781f92d482534ef4b4b1b2568f42613b53e5b6c160e24cfbfa30926d +SIZE (rust/crates/rayon-1.12.0.crate) = 183391 +SHA256 (rust/crates/rayon-core-1.13.0.crate) = 22e18b0f0062d30d4230b2e85ff77fdfe4326feb054b9783a3460d8435c8ab91 +SIZE (rust/crates/rayon-core-1.13.0.crate) = 73151 +SHA256 (rust/crates/reborrow-0.5.5.crate) = 03251193000f4bd3b042892be858ee50e8b3719f2b08e5833ac4353724632430 +SIZE (rust/crates/reborrow-0.5.5.crate) = 3789 +SHA256 (rust/crates/rustc-hash-2.1.2.crate) = 94300abf3f1ae2e2b8ffb7b58043de3d399c73fa6f4b73826402a5c457614dbe +SIZE (rust/crates/rustc-hash-2.1.2.crate) = 14754 +SHA256 (rust/crates/same-file-1.0.6.crate) = 93fc1dc3aaa9bfed95e02e6eadabb4baf7e3078b0bd1b4d7b6b0b68378900502 +SIZE (rust/crates/same-file-1.0.6.crate) = 10183 +SHA256 (rust/crates/seq-macro-0.3.6.crate) = 1bc711410fbe7399f390ca1c3b60ad0f53f80e95c5eb935e52268a0e2cd49acc +SIZE (rust/crates/seq-macro-0.3.6.crate) = 16031 +SHA256 (rust/crates/syn-1.0.109.crate) = 72b64191b275b66ffe2469e8af2c1cfe3bafa67b529ead792a6d0160888b4237 +SIZE (rust/crates/syn-1.0.109.crate) = 237611 +SHA256 (rust/crates/syn-2.0.118.crate) = 1b9ae57f904213ebb649ce6895b8a66c66f0203b9319718f69a5612a065b1422 +SIZE (rust/crates/syn-2.0.118.crate) = 305533 +SHA256 (rust/crates/sysctl-0.6.0.crate) = 01198a2debb237c62b6826ec7081082d951f46dbb64b0e8c7649a452230d1dfc +SIZE (rust/crates/sysctl-0.6.0.crate) = 18829 +SHA256 (rust/crates/target-lexicon-0.13.5.crate) = adb6935a6f5c20170eeceb1a3835a49e12e19d792f6dd344ccc76a985ca5a6ca +SIZE (rust/crates/target-lexicon-0.13.5.crate) = 26928 +SHA256 (rust/crates/thiserror-1.0.69.crate) = b6aaf5339b578ea85b50e080feb250a3e8ae8cfcdff9a461c9ec2904bc923f52 +SIZE (rust/crates/thiserror-1.0.69.crate) = 22198 +SHA256 (rust/crates/thiserror-impl-1.0.69.crate) = 4fee6c4efc90059e10f81e6d42c60a18f76588c3d74cb83a0b242a2b6c7504c1 +SIZE (rust/crates/thiserror-impl-1.0.69.crate) = 18365 +SHA256 (rust/crates/unicode-ident-1.0.24.crate) = e6e4313cd5fcd3dad5cafa179702e2b244f760991f45397d14d4ebf38247da75 +SIZE (rust/crates/unicode-ident-1.0.24.crate) = 49298 +SHA256 (rust/crates/version_check-0.9.5.crate) = 0b928f33d975fc6ad9f86c8f283853ad26bdd5b10b7f1542aa2fa15e2289105a +SIZE (rust/crates/version_check-0.9.5.crate) = 15554 +SHA256 (rust/crates/walkdir-2.5.0.crate) = 29790946404f91d9c5d06f9874efddea1dc06c5efe94541a7d6863108e3a5e4b +SIZE (rust/crates/walkdir-2.5.0.crate) = 23951 +SHA256 (rust/crates/winapi-util-0.1.11.crate) = c2a7b1c03c876122aa43f3020e6c3c3ee5c05081c9a00739faf7503aeba10d22 +SIZE (rust/crates/winapi-util-0.1.11.crate) = 13368 +SHA256 (rust/crates/windows-link-0.2.1.crate) = f0805222e57f7521d6a62e36fa9163bc891acd422f971defe97d64e70d0a4fe5 +SIZE (rust/crates/windows-link-0.2.1.crate) = 6133 +SHA256 (rust/crates/windows-sys-0.61.2.crate) = ae137229bcbd6cdf0f7b80a31df61766145077ddf49416a728b02cb3921ff3fc +SIZE (rust/crates/windows-sys-0.61.2.crate) = 2517186 +SHA256 (rust/crates/zerocopy-0.8.52.crate) = ce1022995ff5ff5d841ad7d994facc23098cd40152f2c1d11cd607c6f530653f +SIZE (rust/crates/zerocopy-0.8.52.crate) = 284102 +SHA256 (rust/crates/zerocopy-derive-0.8.52.crate) = 1ae7f38b72ec2a254e2b87ef277cf2cd4fb97cbebf944faa6f33354da0867930 +SIZE (rust/crates/zerocopy-derive-0.8.52.crate) = 98218 diff --git a/science/py-phonors/pkg-descr b/science/py-phonors/pkg-descr new file mode 100644 index 000000000000..8b71a2e113be --- /dev/null +++ b/science/py-phonors/pkg-descr @@ -0,0 +1,6 @@ +phonors provides Rust kernels for phonopy and phono3py. + +It is a Rust extension module providing the heavy numerical kernels used +by phono3py and intended to also back phonopy as its C kernels are ported. +It is built with maturin and PyO3, distributed as abi3-py310 wheels +(Python 3.10+).