I think we can *finally* make a distributable python module that beha…

…ves nicely

pyproject.toml

@@ -1,16 +1,38 @@
-[build-system]
-requires = ["scikit-build-core>=0.3.3", "pybind11", "torch"]
-build-backend = "scikit_build_core.build"
 
 [project]
 name = "nuTens"
-version = "0.0.2"
+version = "0.0.3"
 description="Library to calculate neutrino oscillation probabilities using tensors"
 readme = "README.md"
 authors = [
   { name = "Ewan Miller", email = "[email protected]" },
 ]
 requires-python = ">=3.9"
+license = {file="LICENSE"}
+keywords = ["neutrino", "oscillations", "physics", "particle", "tensor", "experiment", "autograd", "differentiable programming"]
+classifiers = [
+  "Development Status :: 2 - Pre-Alpha",
+  "Environment :: GPU",
+  "Programming Language :: C++",
+  "Programming Language :: Python :: 3",
+  "Programming Language :: Python :: 3.9",
+  "Programming Language :: Python :: 3.10",
+  "Programming Language :: Python :: 3.11",
+  "Topic :: Scientific/Engineering :: Physics",
+  "Intended Audience :: Science/Research"
+]
+dependencies = [
+  "torch"
+]
+
+[project.urls]
+Repository = "https://github.com/ewanwm/nuTens"
+Issues = "https://github.com/ewanwm/nuTens/issues"
+Documentation = "https://ewanwm.github.io/nuTens/"
+
+[build-system]
+requires = ["scikit-build-core>=0.3.3", "pybind11", "torch"]
+build-backend = "scikit_build_core.build"
 
 [tool.cibuildwheel]
 build-frontend = "build[uv]"

python/CMakeLists.txt

@@ -1,15 +1,15 @@
 
 pybind11_add_module( 
-    pyNuTens MODULE 
+    _pyNuTens MODULE 
     binding.cpp 
 )
 
 if(NT_USE_PCH)
-    target_precompile_headers( pyNuTens REUSE_FROM nuTens-pch )
+    target_precompile_headers( _pyNuTens REUSE_FROM nuTens-pch )
 endif()
-target_link_libraries( pyNuTens PUBLIC nuTens )
+target_link_libraries( _pyNuTens PUBLIC nuTens )
 
 # This is passing in the version as a define just as an example
-target_compile_definitions( pyNuTens PRIVATE VERSION_INFO=${PROJECT_VERSION} )
+target_compile_definitions( _pyNuTens PRIVATE VERSION_INFO=${PROJECT_VERSION} )
 
-install( TARGETS pyNuTens DESTINATION pyNuTens/ )
+install( TARGETS _pyNuTens DESTINATION nuTens/ )

python/README.md

@@ -0,0 +1,5 @@
+## Python Interface
+
+nuTens provides a python interface that can be installed manually or via [pyPi](https://pypi.org/). [binding.cpp](binding.cpp) defines the python bindings of many of the nuTens c++ objects, which are then compiled into a python module using [pybind11](https://github.com/pybind/pybind11) (see [CMakeLists.txt](CMakeLists.txt)).
+
+The [nuTens](nuTens) folder defines the python module and any pure python extension code for nuTens should go in there.

python/binding.cpp

@@ -18,9 +18,9 @@ void initTensor(py::module & /*m*/);
 void initPropagator(py::module & /*m*/);
 void initDtypes(py::module & /*m*/);
 
-// initialise the top level module "pyNuTens"
+// initialise the top level module "_pyNuTens"
 // NOLINTNEXTLINE
-PYBIND11_MODULE(pyNuTens, m)
+PYBIND11_MODULE(_pyNuTens, m)
 {
     m.doc() = "Library to calculate neutrino oscillations";
     initTensor(m);

python/nuTens/__init__.py

@@ -0,0 +1,3 @@
+from ._pyNuTens import __doc__, __version__, tensor, propagator, dtype
+
+__all__ = ["__doc__", "__version__", "tensor", "propagator", "dtype"]

python/nuTens/dtype.py

@@ -0,0 +1,2 @@
+from ._pyNuTens import dtype
+from ._pyNuTens.dtype import *

python/nuTens/propagator.py

@@ -0,0 +1,2 @@
+from ._pyNuTens import propagator
+from ._pyNuTens.propagator import *

python/nuTens/tensor.py

@@ -0,0 +1,2 @@
+from ._pyNuTens import tensor
+from ._pyNuTens.tensor import *

tests/pyNuTens-test.py

@@ -1,7 +1,7 @@
 import torch
-import pyNuTens as nt
-from pyNuTens import tensor
-from pyNuTens.tensor import Tensor
+import nuTens as nt
+from nuTens import tensor
+from nuTens.tensor import Tensor
 import matplotlib.pyplot as plt
 import typing