PySDM v2.34

What's Changed

• stable water isotopologues:

  • new base attributes: Moles1H, Moles16O, MolesLightWater + havy isotopes via make_mole_amount_factory (previously developed for Hoppel gap)
  • new derived attributes: isotopic deltas (via new make_delta_factory)
  • backend isotope methods: isotopic_delta via physics.trivia (both CPU and GPU)
  • sketch of IsotopicFractionation dynamic (attribite dependencies, trigerring delta calculation)
  • VSMOW constants
  • isotope-related physics formulae:
    • isotope_equilibrium_fractionation_factors: BarkanAndLuz2005 (Oxygen 17, liquid), HoritaAndWesolowski1994 (Oxygen 18 and Deuterium, liquid), Majoube1970 (Oxygen 18, ice), Majoube1971 (Oxygen 18, liquid), MerlivatAndNief1967 (Deuterium, liquid & ice), VanHook1968 (D, T, O18, O17; liquid & ice)
    • isotope_meteoric_water_line_excess: Dansgaard1964 (Oxygen 18 vs. Deuterium), BarkanAndLuz2007 (Oxygen 17 vs. Oxygen 18); Craig 1961 Fig 1 and Barkan & Luz 2007 Fig 4 unit tests
    • isotope_ratio_evolution: MerlivatAndJouzel1979 (differential), RayleighDistillation (integral) + test checking when these two match
  • trivia formulae: isotopic_delta_2_ratio, isotopic_ratio_2_delta, isotopic_enrichment_to_delta_SMOW, mixing_ratio_to_specific_content
  • new examples (all environment-free, depicting formulae):
    • Bolot_et_al_2013: Fig 1 (incl. unit tests)
    • Merlivat_and_Nief_1967: Fig 2 (incl. unit tests)
    • Pierchala_et_al_2022: Fig 3 & 4 (incl. smoke tests)
    • Van_Hook_1968: Fig 1

• formulae machinery:

  • constants_defaults: all calculations logic moved to compute_derived_values function called from Formulae ctor
  • PPM, PER_CENT, PER_MEG, PER_MILLE
  • dry-air molar mass derived from NIST N2, O2, Ar and C composition ratios
  • water molar mass derived from VSMOW isotopic ratios

• CI:

  • run git diff on pre-commit jpb failure
  • bump pypartmc from 1.0.0 to 1.0.1 by @dependabot in #1204
  • cleanup precommit workflow (#1205)

Full Changelog: v2.33...v2.34

PySDM v2.33

What's Changed

• Bump pypartmc from 0.7.1 to 0.9.5 by @dependabot in #1195
• rename test_coalescence into test_lwc_constant + switch from returns to pytest.skip() by @slayoo in #1192
• Bump pypartmc from 0.9.5 to 1.0.0 by @dependabot in #1202
• Pass environment to Builder constructor by @abulenok in #1178

Full Changelog: v2.32...v2.33

PySDM v2.32

What's Changed

• Bump pypartmc from 0.6.4 to 0.7.1 by @dependabot in #1186
• sort out pkg_resources deprecation using importlib.metadata (requires Python 3.8) by @slayoo in #1194
• split packaging and publishing into separate jobs; enforce setuptools[-scm] versions that work by @slayoo in #1199

Full Changelog: v2.31...v2.32

PySDM v2.31

• added argument-range checks for GunnKinzer1949 interpolation of terminal velocities (thanks @bradybhalla for reporting and identifying the issue, thanks @abulenok for providing the fix)
• failing Particulator instantiation if user supplies values for a derived attribute
• simplifcations/cleanups in dry_volume & acidity attributes code
• disabling multi-threading on arm64 until we have a fix for atomic operations (thanks @jtbuch and @pb475 for reporting the problem and help with debugging it!)

PySDM v2.30

• mass instead of volume as base attribute (incl. introduction of physics.particle_shape_and_density) #1147
• new cases for test_attribute_update_single_breakup (#1158)
• compatibility fixes for newer versions of setuptools_scm
• docstring cleanups

thanks @abulenok, @AgnieszkaMakulska & @Delcior

PySDM v2.29

• added CPU vs. GPU performance comparison for the Srivastava_1978 setup
• removed spurious index copying in attributes

PySDM v2.28

• refactor in GPU backend using @cached_property instead of lengthy ctors in methods classes (results in a lazy evaluation bonus)
• dropping support for Python 3.7 (due to @cached_property, and in line with 3.7 end of life)
• C code syntax fixes & cleanups in GPU backend
• atomicAdd workaround for double precision type on older CUDA (#1138)

PySDM v2.27

• option to use a non-constant timescale in the relaxed velocity dynamic (#1114) - @bradybhalla

PySDM v2.26

• breakup function renaming withing backend code (#1126) - @abulenok
• phasing out "q" var naming in favour of "water_vapour_mixing_ratio", etc (#1131)
• updates to the Grabowski & Pawlowska 2023 example: condensation tolerance, ripening rate (#1129) - @AgnieszkaMakulska
• cleaning up code that triggered redefined-outer-name pylint warning in pytest fixtures and notebook-embedded function definitions (#1133)
• ensuring all classes are accessible after importing only the main PySDM package (#1135)

PySDM v2.25

• new example notebooks and smoke tests covering complete set of figures from Grabowski & Pawlowska 2023
• new product base class: _ActivationFilteredProduct
• new products based on the above: ActivatedParticleConcentration, ActivatedParticleSpecificConcentration, ActivatedMeanRadius
• new size-spectral products: MeanVolumeRadius, AreaStandardDeviation, RadiusStandardDeviation, VolumeStandardDeviation
• new attribute: EquilibriumSupersaturation
• cleanups in Yang_et_al_2018 example (incl. using the above new products instead of manually computing the activation-filtered quantities)

kudos @AgnieszkaMakulska!