Merge pull request #45 from tboudreaux/feature/pythonInterface/composition

Python Interface for composition module

assets/static/atomic/include/atomicSpecies.h

@@ -1,5 +1,4 @@
-#ifndef SPECIES_MASS_DATA_H
+#pragma once
-#define SPECIES_MASS_DATA_H
 #include <unordered_map>
 #include <string_view>
 #include <string>
@@ -7205,4 +7204,3 @@ namespace chemSpecies {
         {"Og-295", Og_295},
     };
 }; // namespace chemSpecies
-#endif // SPECIES_MASS_DATA_H

build-config/meson.build

@@ -5,3 +5,17 @@ subdir('yaml-cpp')
 subdir('quill')
 subdir('boost')
 subdir('opatIO')
+subdir('pybind')
+
+# Set the config file error handling options
+configErr = get_option('config_error_handling')
+
+# build up any -D flags we need
+commonCppArgs = []
+if configErr == 'warn'
+    commonCppArgs += ['-DCONFIG_WARN']
+elif configErr == 'harsh'
+    commonCppArgs += ['-DCONFIG_HARSH']
+endif
+
+add_project_arguments(commonCppArgs, language: 'cpp')

src/composition/meson.build

@@ -9,13 +9,12 @@ composition_headers = files(
 
 dependencies = [
     probe_dep,
-    config_dep,
     quill_dep,
     species_weight_dep
 ]
 
 # Define the libcomposition library so it can be linked against by other parts of the build system
-libcomposition = static_library('composition',
+libcomposition = library('composition',
     composition_sources, 
     include_directories: include_directories('public'),
     cpp_args: ['-fvisibility=default'],

src/composition/public/composition.h

@@ -190,7 +190,6 @@ namespace composition{
      */
     class Composition {
     private:
-        Config& m_config = Config::getInstance();
         Probe::LogManager& m_logManager = Probe::LogManager::getInstance();
         quill::Logger* m_logger = m_logManager.getLogger("log");