Linfeng - First PR of c++ thermo using pybind11 #3856

gitlinffff · 2025-06-23T22:40:18Z

c++ functions I created at this stage:

MoistAirGasConstant
MoistAirSpecificHeatPressure
WaterLatentHeatVaporization
WaterLatentHeatSublimation
RelativeHumidityFromDewPoint
DryLapse
DryLapseProfile
CaldlnTdlnP
MoistLapse
MoistLapseProfile
LCL
_CheckPressure
_SaturationVaporPressureLiquid
_SaturationVaporPressureSolid
SaturationVaporPressure
DewPoint
MixingRatio
SaturationMixingRatio
SpecificHumidityFromMixingRatio
SpecificHumidityFromDewPoint
VirtualTemperature
lambert_wm1

* vectorize the function using pybind11/numpy.h, achieving handling numpy array, float and dtype * add dewpoint, add constants.hpp, adding other functions WIP

…verting saturation vapor pressure WIP

…midity_from_mixing_ratio, specific_humidity_from_dewpoint

…essure; WIP: LCL

…multiple dimensions

…elProfileHelper wip

CLAassistant · 2025-06-23T22:40:27Z

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2 out of 3 committers have signed the CLA.

✅ dopplershift
✅ gitlinffff
❌ Linfeng Li

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…d11 module

…1 module

DWesl · 2025-06-28T00:33:29Z

pyproject.toml

+requires = ["setuptools>=61", "setuptools-scm[toml]>=3.4", "scikit-build-core", "pybind11"]
+build-backend = "scikit_build_core.build"


If you're using that build backend, you can drop setuptools from the build-requires list too.

DWesl · 2025-06-28T00:35:53Z

src/CMakeLists.txt

+#set(CMAKE_CXX_STANDARD 14)
+#set(CMAKE_CXX_STANDARD_REQUIRED ON)
+
+find_package(Python COMPONENTS Interpreter Development.Module REQUIRED)


Is there a specific reason you need the interpreter? It looks like the module development component would be enough so far.

DWesl · 2025-06-28T00:37:46Z

src/thermo.hpp

+#include <pybind11/pybind11.h>
+#include <pybind11/numpy.h>


These need to be the first includes in the file.

DWesl · 2025-06-28T00:38:13Z

src/calcmod.cpp

+#include <pybind11/pybind11.h>
+#include <pybind11/numpy.h>
+#include <pybind11/stl.h>


These need to be the first includes in the file.

DWesl · 2025-06-28T00:43:24Z

src/thermo.cpp

+#include <pybind11/pybind11.h>
+#include <pybind11/numpy.h>


These need to be the first includes in the file

DWesl · 2025-06-28T01:15:42Z

src/math.cpp

+#include <iostream>   // for std::cerr
+#include "math.hpp"
+
+double lambert_wm1(double x, double tol, int max_iter) {


Would it be possible to use the SciPy LambertW (or the xsf function it wraps (C++ in a separate repo for people who don't want all of SciPy), or the Cython wrapper it might generate (it looks like it would be scipy.special._ufuncs.lambertw)? If we are very lucky, PyCapsule_Import() would get the correct function with little effort.

DWesl · 2025-06-28T01:16:18Z

src/math.cpp

+
+    for (int i = 0; i < max_iter; ++i) {
+        double ew = std::exp(w);
+        double wew = w * ew;


It looks like spellcheck would prefer a name like w_ew

DWesl · 2025-06-28T01:18:44Z

src/calcmod.cpp

+            "Calculate relative humidity from temperature and dewpoint.",
+            py::arg("temperature"), py::arg("dewpoint"), py::arg("phase"));
+
+    m.def("dry_lapse", &DryLapseVectorized,


Is there a specific reason this doesn't follow the pattern of py::vectorize(DryLapse)? That seems to be what the current implementation does.

…'structured binding'

…ler and an array with one element

dopplershift and others added 28 commits May 23, 2025 13:43

Update to build using scikit-build-core

5fd8001

WIP: Add stub module that uses pybind11

19399ff

add virtual_temperature.cpp and link it using pybind11

e76004c

debug 1.input data format compatibility 2.set default epsilon 0.622

358161a

remove setting c++14 in CMakeLists.txt

f18d93b

Pybind11_vectorize (#1)

d12c77d

* vectorize the function using pybind11/numpy.h, achieving handling numpy array, float and dtype * add dewpoint, add constants.hpp, adding other functions WIP

wip

31dbf18

create constants.cpp and .hpp to fetch all constants from python; con…

8e1eccc

…verting saturation vapor pressure WIP

c++ fetch nounit constants from nounit.py

6b81f0e

finish converting saturation vapor pressure

0cb07ba

calc.thermo calls c++ function WIP

5514401

apply c++ functions in thermo.py

697afd6

wip

5072b95

wip

40c9419

wip

f913ea7

add c++ functions: mixing_ratio, saturation_mixing_ratio, specific_hu…

e7d870e

…midity_from_mixing_ratio, specific_humidity_from_dewpoint

add c++ functions: moist_air_gas_constant, moist_air_specific_heat_pr…

ad18ce3

…essure; WIP: LCL

wip

89a17ab

add function lambert_wm1: Lambert W function -1 section; LCL c++ WIP

0af355b

achieved manually vectorization of function LCL, support np.array of …

94803bd

…multiple dimensions

add reference to Lambert W function calculation

8f50f44

set warning messages and return NAN value

76ce4c2

add c++ dry_lapse

097844a

add DryLapseProfile for c++ internal vectorization of DryLapse; _Parc…

94fde62

…elProfileHelper wip

add moist lapse, use rk4 to integrate dlnT_dlnP

e9feef3

use Bakhshaii2013 for c++ moist_lapse

569c92f

import c++ lcl into metpy thermo.py

ca222aa

change file name 'virtual_temperature.cpp' -> 'thermo.cpp'

7986a8a

gitlinffff temporarily deployed to CodeCov June 23, 2025 22:49 — with GitHub Actions Inactive

Linfeng Li added 3 commits June 23, 2025 17:13

parcel profile wip

1f12749

add a return struct for _ParcelProfileHelper wip

8eb21f0

c++ ParcelProfile finished, assembled dry and moist part of the profile

e33ff90

gitlinffff temporarily deployed to CodeCov June 24, 2025 22:36 — with GitHub Actions Inactive

c++ version moist_lapse can handle 2D multiple starting temperature now

44f1ddd

gitlinffff temporarily deployed to CodeCov June 26, 2025 00:18 — with GitHub Actions Inactive

put MoistLapseVectorized in thermo.cpp, no need to vectorize in pybin…

e0d1f1e

…d11 module

gitlinffff temporarily deployed to CodeCov June 26, 2025 14:34 — with GitHub Actions Inactive

add DryLapseVectorized in thermo.cpp, no need to vectorize in pybind1…

853a213

…1 module

gitlinffff temporarily deployed to CodeCov June 26, 2025 22:46 — with GitHub Actions Inactive

modify conditions for LCL to execute

e767960

gitlinffff temporarily deployed to CodeCov June 27, 2025 22:18 — with GitHub Actions Inactive

add c++ virtual_temperature_from_dewpoint

0afe0cc

gitlinffff temporarily deployed to CodeCov July 1, 2025 14:30 — with GitHub Actions Inactive

DWesl reviewed Jul 4, 2025

View reviewed changes

change ssize_t to size_t, ssize_t is not supported on windows

47845b5

gitlinffff temporarily deployed to CodeCov July 7, 2025 14:12 — with GitHub Actions Inactive

move lcl python binding from calcmod.cpp to thermo.cpp; debug syntax …

87b31ea

…'structured binding'

gitlinffff temporarily deployed to CodeCov July 7, 2025 23:03 — with GitHub Actions Inactive

gitlinffff temporarily deployed to CodeCov July 7, 2025 23:10 — with GitHub Actions Inactive

add DryLapseVectorized_3D

c93e6aa

gitlinffff temporarily deployed to CodeCov July 15, 2025 03:28 — with GitHub Actions Inactive

gitlinffff temporarily deployed to CodeCov July 15, 2025 03:33 — with GitHub Actions Inactive

debug: number of dimension inconsistency when lcl has inputs of a sca…

57995eb

…ler and an array with one element

gitlinffff temporarily deployed to CodeCov July 16, 2025 15:45 — with GitHub Actions Inactive

gitlinffff temporarily deployed to CodeCov July 16, 2025 15:51 — with GitHub Actions Inactive

code convention check

9dbc348

gitlinffff temporarily deployed to CodeCov July 21, 2025 16:03 — with GitHub Actions Inactive

gitlinffff temporarily deployed to CodeCov July 21, 2025 16:11 — with GitHub Actions Inactive

dcamron mentioned this pull request Aug 25, 2025

chore: #3847 Update min python version to 3.11 #3901

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Linfeng - First PR of c++ thermo using pybind11 #3856

Linfeng - First PR of c++ thermo using pybind11 #3856

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gitlinffff commented Jun 23, 2025

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CLAassistant commented Jun 23, 2025 •

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DWesl Jun 28, 2025

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		requires = ["setuptools>=61", "setuptools-scm[toml]>=3.4", "scikit-build-core", "pybind11"]
		build-backend = "scikit_build_core.build"

		#include <pybind11/pybind11.h>
		#include <pybind11/numpy.h>

		#include <pybind11/pybind11.h>
		#include <pybind11/numpy.h>

Linfeng - First PR of c++ thermo using pybind11 #3856

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Linfeng - First PR of c++ thermo using pybind11 #3856

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CLAassistant commented Jun 23, 2025 •

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