CEFAnaT (#6)

* Add peaks list method to physprop

* Add test for peaks

* Fix broken test on MacOS

* Add Fabi normalise parameters; Add point symmetries

* Add split2range function and test

* WIP: fitengy

* Add fitengy and test

* Remove versioneer

* Change to pyproject.toml - scikit-build

* Fix std=cxx-11 issues on Linux/Mac (VC uses cxx-14)

* Fix win CI error. Add pyodide tests

* Typo in CI yaml

Author: mducle

.github/workflows/build_python.yml

@@ -59,11 +59,15 @@ jobs:
             python -m unittest
             cd ..
           done
-      - name: Build Pyodide wheel
+      - name: Build and test Pyodide wheel
         if: matrix.os == 'ubuntu-latest'
         run: |
           eval "$($MAMBA_EXE shell activate cibuildwheel)"
-          CIBW_BUILD="cp312*" python -m cibuildwheel --output-dir wheelhouse --platform pyodide
+          CIBW_BUILD="cp312*" python -m cibuildwheel --output-dir dist --platform pyodide
+          mamba install nodejs
+          npm install
+          npm test
+          mv dist/*wasm*.whl wheelhouse/
       - name: Upload release wheels
         if: |
           contains(github.event.pull_request.title, 'RELEASE') &&

.gitignore

@@ -10,7 +10,10 @@ build
 dist
 libMcPhase.egg-info
 libmcphase.egg-info
-emsdk
+emsdk*
 Emscripten.cmake
+node_modules
+package-lock.json
 
 libmcphase/*pyd
+libmcphase/libmcphase.cpython*

CMakeLists.txt

@@ -1,11 +1,10 @@
-cmake_minimum_required (VERSION 3.13)
+cmake_minimum_required (VERSION 3.15)
 project(libMcPhase)
 
 set(CMAKE_MODULE_PATH ${PROJECT_SOURCE_DIR}/cmake)
 set(CMAKE_MACOSX_RPATH TRUE)
 set(CMAKE_CXX_STANDARD 11)
 set(CXX_STANDARD_REQUIRED 11)
-cmake_policy(SET CMP0148 OLD)  # New policy gives error when cannot find shared libs
 
 set(LIBMCPHASE_PYTHON_MODULE libmcphase)
 
@@ -45,3 +44,6 @@ add_subdirectory(src)
 pybind11_add_module(${LIBMCPHASE_PYTHON_MODULE} MODULE)
 target_include_directories(${LIBMCPHASE_PYTHON_MODULE} PUBLIC src/include)
 add_subdirectory(src/libmcphase)
+
+# Destination name must match name of project in pyproject.toml
+install(TARGETS ${LIBMCPHASE_PYTHON_MODULE} DESTINATION libmcphase)

libmcphase/__init__.py

@@ -1,4 +1,4 @@
 from .libmcphase import *
 
 from . import _version
-__version__ = _version.get_versions()['version']
+__version__ = _version.__version__