RECONR

.gitmodules

@@ -0,0 +1,21 @@
+[submodule "dependencies/Log"]
+	path = dependencies/Log
+	url = https://github.com/njoy/Log.git
+[submodule "dependencies/tclap-adapter"]
+	path = dependencies/tclap-adapter
+	url = https://github.com/apmccartney/tclap-adapter.git
+[submodule "dependencies/catch-adapter"]
+	path = dependencies/catch-adapter
+	url = https://github.com/apmccartney/catch-adapter.git
+[submodule "dependencies/dimwits"]
+	path = dependencies/dimwits
+	url = https://github.com/njoy/DimensionalAnalysis.git
+[submodule "dependencies/njoy_c_bindings"]
+	path = dependencies/njoy_c_bindings
+	url = https://github.com/njoy/njoy_c_bindings.git
+[submodule "dependencies/ENDFtk"]
+	path = dependencies/ENDFtk
+	url = https://github.com/njoy/ENDFtk.git
+[submodule "dependencies/lipservice"]
+	path = dependencies/lipservice
+	url = https://github.com/njoy/lipservice.git

CMakeLists.txt

@@ -62,6 +62,7 @@ target_include_directories( njoy21_library
     )
 target_link_libraries( njoy21_library
     INTERFACE leapr
+    INTERFACE RECONR
     INTERFACE ENDFtk
     INTERFACE dimwits
     INTERFACE lipservice
@@ -100,5 +101,6 @@ if( CMAKE_SOURCE_DIR STREQUAL CMAKE_CURRENT_SOURCE_DIR )
     message( STATUS "Adding integral testing" )
     enable_testing()
     add_subdirectory( tests )
+    configure_file( cmake/CTestCustom.cmake ${CMAKE_BINARY_DIR} )
 
 endif()

ReleaseNotes.md

@@ -15,6 +15,20 @@ See [Pull Request #144](https://github.com/njoy/NJOY21/pull/144)
 ### Regression Tests
 There are a number of [regression tests](https://www.njoy21.io/NJOY2016/testDescription.html) with NJOY21. These are the same as used in NJOY2016. Some of them are no longer valid with NJOY21. With NJOY21, features that are not included in ENDF/B-VII.0 or later, are not going to be supported in NJOY21. There are some regression tests that are no going to be supported in NJOY21. They are:
 
+- [Test01](https://www.njoy21.io/NJOY2016/testDescription.html#test-problem-1)
+  Uses ENDF/B-V tape.
+- [Test02](https://www.njoy21.io/NJOY2016/testDescription.html#test-problem-2)
+  Uses ENDF/B-IV tape.
+- [Test03](https://www.njoy21.io/NJOY2016/testDescription.html#test-problem-3)
+- [Test04](https://www.njoy21.io/NJOY2016/testDescription.html#test-problem-4)
+  Uses ENDF/B-V tape.
+- [Test05](https://www.njoy21.io/NJOY2016/testDescription.html#test-problem-5)
+  Uses ENDF/B-V tape.
+- [Test06](https://www.njoy21.io/NJOY2016/testDescription.html#test-problem-6)
+  Uses ENDF/B-V tape.
+- [Test07](https://www.njoy21.io/NJOY2016/testDescription.html#test-problem-7)
+  Uses ENDF/B-V tape.
+
 ## [NJOY21 1.2.2](https://github.com/njoy/NJOY21/pull/142)
 - Updating Legacy NJOY to NJOY2016.61. See [release 2016.61](https://github.com/njoy/NJOY2016/releases/tag/2016.61) for more information
 - Adding additional regression tests.

cmake/CTestCustom.cmake

@@ -0,0 +1,11 @@
+# These tests are ignored. Remove them from here when that feature of NJOY21
+# gets implemented
+set(CTEST_CUSTOM_TESTS_IGNORE
+   $CTEST_CUSTOM_TESTS_IGNORE
+   # Missing capability in RECONR https://github.com/njoy/RECONR/issues/14
+   Test30
+   # Poor B-10 evaluation
+   Test45                        
+   # Missing capability in RECONR https://github.com/njoy/RECONR/issues/14
+   Test60                        
+   )

cmake/develop_dependencies.cmake

@@ -5,6 +5,18 @@ include( FetchContent )
 # Declare project dependencies
 #######################################################################
 
+FetchContent_Declare( nlohmann_json
+    GIT_REPOSITORY  https://github.com/nlohmann/json
+    GIT_TAG         v3.7.3
+    )
+set(JSON_BuildTests OFF CACHE INTERNAL "")
+
+FetchContent_Declare( RECONR
+    GIT_REPOSITORY  https://github.com/njoy/RECONR
+    GIT_TAG         origin/master
+    GIT_SHALLOW     TRUE
+    )
+
 FetchContent_Declare( leapr
     GIT_REPOSITORY  https://github.com/njoy/leapr
     GIT_TAG         origin/master
@@ -13,7 +25,7 @@ FetchContent_Declare( leapr
 
 FetchContent_Declare( ENDFtk
     GIT_REPOSITORY  https://github.com/njoy/ENDFtk
-    GIT_TAG         origin/develop
+    GIT_TAG         origin/release
     GIT_SHALLOW     TRUE
     )
 
@@ -31,7 +43,7 @@ FetchContent_Declare( lipservice
 
 FetchContent_Declare( njoy
     GIT_REPOSITORY  http://github.com/njoy/NJOY2016
-    GIT_TAG         2016.61
+    GIT_TAG         origin/develop
     )
 
 FetchContent_Declare( njoy_c_bindings
@@ -64,6 +76,7 @@ FetchContent_Declare( utility
 
 FetchContent_MakeAvailable(
     leapr
+    RECONR
     ENDFtk
     dimwits
     lipservice

cmake/release_dependencies.cmake

@@ -5,16 +5,22 @@ include( FetchContent )
 # Declare project dependencies
 #######################################################################
 
-FetchContent_Declare( leapr
-    GIT_REPOSITORY  https://github.com/njoy/leapr
-    GIT_TAG         ff2a1fa90f28e29b5eda100428c35150d1ff89f7
-    )
-
 FetchContent_Declare( catch-adapter
     GIT_REPOSITORY  https://github.com/njoy/catch-adapter
     GIT_TAG         fb84b82ebf7a4789aa43cea560680cf745c6ee4f
     )
 
+FetchContent_Declare( eigen
+    GIT_REPOSITORY  https://gitlab.com/libeigen/eigen.git
+    GIT_TAG         dc252fbf00079ccab57948a164b1421703fe4361 # tag: 3.3.8
+    )
+set(BUILD_TESTING OFF CACHE BOOL OFF )
+
+FetchContent_Declare( constants
+    GIT_REPOSITORY  https://github.com/njoy/constants
+    GIT_TAG         c113d6517a8946e0f4280ab5c38de50139df99d0
+    )
+
 FetchContent_Declare( dimwits
     GIT_REPOSITORY  https://github.com/njoy/DimensionalAnalysis
     GIT_TAG         acd794d373c8740a788f5c9d58a6eb8ba4d9861a
@@ -25,9 +31,19 @@ FetchContent_Declare( disco
     GIT_TAG         a1a7ddb2c0f69465524d8640ee29988b714a881e
     )
 
+FetchContent_Declare( eigen
+    GIT_REPOSITORY  https://gitlab.com/libeigen/eigen.git
+    GIT_TAG         dc252fbf00079ccab57948a164b1421703fe4361 # tag: 3.3.8
+    )
+
+FetchContent_Declare( elementary
+    GIT_REPOSITORY  https://github.com/njoy/elementary
+    GIT_TAG         97224cd76b92f174567fdd9259d3b7d8b41ccfae # tag: v0.2.2
+    )
+
 FetchContent_Declare( ENDFtk
     GIT_REPOSITORY  https://github.com/njoy/ENDFtk
-    GIT_TAG         d72711722a269919321e3f3df8a8b0cfe23ba6c7
+    GIT_TAG         65f70e1b771a167b912b2a091f80b891b1b64d27
     )
 
 FetchContent_Declare( hana-adapter
@@ -40,6 +56,16 @@ FetchContent_Declare( header-utilities
     GIT_TAG         cc2610fee15e255c151e8e22aca1e8b3d1a96b39
     )
 
+FetchContent_Declare( interpolation
+    GIT_REPOSITORY  https://github.com/njoy/interpolation
+    GIT_TAG         2a76934a148bf379ab594f6cdd2cdf4c8c28e447
+    )
+
+FetchContent_Declare( leapr
+    GIT_REPOSITORY  https://github.com/njoy/leapr
+    GIT_TAG         645eec428aaece34ab9eae287419e91c8fd7362f
+    )
+
 FetchContent_Declare( lipservice
     GIT_REPOSITORY  https://github.com/njoy/lipservice
     GIT_TAG         1efa5e9452384a7bfc278fde57979c4d91e312c0
@@ -64,12 +90,28 @@ FetchContent_Declare( nlohmann_json
     GIT_REPOSITORY  https://github.com/nlohmann/json
     GIT_TAG         e7b3b40b5a95bc74b9a7f662830a27c49ffc01b4 # tag: v3.7.3
     )
+set(JSON_BuildTests OFF CACHE INTERNAL "")
+
+FetchContent_Declare( pybind11
+    GIT_REPOSITORY  https://github.com/pybind/pybind11
+    GIT_TAG         f1abf5d9159b805674197f6bc443592e631c9130 # tag: v2.6.1
+    )
 
 FetchContent_Declare( range-v3-adapter
     GIT_REPOSITORY  https://github.com/njoy/range-v3-adapter
     GIT_TAG         252679d4737c8f755d87c0e1eed6c37394a2ec59
     )
 
+FetchContent_Declare( RECONR
+    GIT_REPOSITORY  https://github.com/njoy/RECONR
+    GIT_TAG         fdc00f11b99c2edccfb7a680b0af9609faefcb3b
+    )
+
+FetchContent_Declare( resonanceReconstruction
+    GIT_REPOSITORY  https://github.com/njoy/resonanceReconstruction
+    GIT_TAG         d54062b991c73e675f5afd2ba0db6c76eb2c2d9c
+    )
+
 FetchContent_Declare( spdlog
     GIT_REPOSITORY  https://github.com/gabime/spdlog
     GIT_TAG         a51b4856377a71f81b6d74b9af459305c4c644f8
@@ -80,6 +122,11 @@ FetchContent_Declare( tclap-adapter
     GIT_TAG         2642a0f6913c431608c7cd2c61607cb2d775d5b9
     )
 
+FetchContent_Declare( twig
+    GIT_REPOSITORY  https://github.com/njoy/twig
+    GIT_TAG         e209d801a1dc99644ee48e9caaf0afb07ef982ff
+    )
+
 FetchContent_Declare( utility
     GIT_REPOSITORY  https://github.com/njoy/utility
     GIT_TAG         4e72b708d153450bdbc7fc2b45651d71f9a183dc
@@ -90,20 +137,28 @@ FetchContent_Declare( utility
 #######################################################################
 
 FetchContent_MakeAvailable(
-    leapr
     catch-adapter
+    constants
     dimwits
     disco
+    eigen
+    elementary
     ENDFtk
     hana-adapter
     header-utilities
+    interpolation
+    leapr
     lipservice
     Log
     njoy
     njoy_c_bindings
     nlohmann_json
+    pybind11
     range-v3-adapter
+    RECONR
+    resonanceReconstruction
     spdlog
     tclap-adapter
+    twig
     utility
     )

cmake/unit_testing.cmake

@@ -15,3 +15,4 @@ add_subdirectory( src/njoy21/Driver/test )
 add_subdirectory( src/njoy21/Version/test )
 add_subdirectory( src/njoy21/io/Manager/test )
 add_subdirectory( src/njoy21/legacy/Sequence/test )
+add_subdirectory( src/njoy21/modern/Sequence/test )

src/njoy21.hpp

@@ -28,6 +28,7 @@
 #pragma GCC diagnostic pop
 
 #include "njoy_c.h"
+#include "RECONR.hpp"
 #include "leapr.hpp"
 
 namespace njoy{

src/njoy21/CommandLine/test/CommandLine.test.cpp

@@ -1,7 +1,19 @@
 #define CATCH_CONFIG_MAIN
 #include "catch.hpp"
 
-#include "njoy21.hpp"
+#include "Log.hpp"
+
+namespace njoy{
+namespace njoy21{
+
+struct CommandLine;
+
+#include "njoy21/Version.hpp"
+
+} // namespace njoy21
+} // namespace njoy
+
+#include "njoy21/CommandLine.hpp"
 
 using namespace njoy::njoy21;
 

src/njoy21/Driver/Factory/src/setupLegacyDirectory.hpp

@@ -4,7 +4,7 @@ static Directory setupLegacyDirectory( CommandLine& commandLine ){
                   "GASPR", "HEATR", "GROUPR", "VIEWR", "MIXR", "DTFR",
                   "THERMR", "RESXSR", "MATXSR", "GAMINR", "PLOTR",
                   "COVR", "WIMSR", "POWR", "CCCCR", "ERRORR" } ):
-    Directory( { "MODER", "RECONR", "BROADR", "PURR", "UNRESR", "ACER",
+    Directory( { "MODER", "BROADR", "PURR", "UNRESR", "ACER",
                   "GASPR", "HEATR", "GROUPR", "VIEWR", "MIXR", "DTFR",
                   "THERMR", "LEAPR", "RESXSR", "MATXSR", "GAMINR", "PLOTR",
                   "COVR", "WIMSR", "POWR", "CCCCR", "ERRORR" } );

src/njoy21/Driver/Factory/src/setupModernDirectory.hpp

@@ -1,5 +1,5 @@
 static Directory setupModernDirectory( CommandLine& commandLine ){
   return ( commandLine.legacySwitch ) ? 
     Directory() : 
-    Directory( { "LEAPR" } );
+    Directory( { "RECONR", "LEAPR" } );
 }

src/njoy21/Driver/test/resources/input.njoy

@@ -1,11 +1,9 @@
 moder
   20 -30 /
 reconr
-  -30 -31 /
+   20  31 /
   'automated processing using ndvv.njoy.process see *log files' /
   2631 0 0 /
   0.001 0.0 0.01 5.000000000000004e-08 /
   0 /
-moder
-  -31 21 /
 stop

src/njoy21/io/Manager.hpp

@@ -15,18 +15,19 @@ class Manager {
     inputStream( std::move(input) ),
     outputPath( std::move(outputPath) ),
     errorPath( std::move(errorPath) ),
-    legacyBuffer( utility::stream::TemporaryFileStream() ){}
+    legacyBuffer( utility::stream::TemporaryFileStream() )
+  {}
 
 public:
 
-#include "njoy21/io/Manager/Builder.hpp"
-#include "njoy21/io/Manager/FileGuard.hpp"
+  #include "njoy21/io/Manager/Builder.hpp"
+  #include "njoy21/io/Manager/FileGuard.hpp"
 
 
   lipservice::iRecordStream< char >&
   input(){ return this->inputStream; }
 
-#include "njoy21/io/Manager/src/output.hpp"
+  #include "njoy21/io/Manager/src/output.hpp"
 
   std::ostream& buffer(){ return this->legacyBuffer; }
 

src/njoy21/legacy.hpp

@@ -1,5 +1,3 @@
 namespace legacy {
-
 #include "njoy21/legacy/Sequence.hpp"
-
 }

src/njoy21/legacy/Sequence/Factory/src/callOperator.hpp

@@ -20,6 +20,8 @@ operator()( std::string& label ){
     return std::make_unique< Sequence >( 
       Sequence( manager, std::move( sequence ) ) );
   } catch ( std::exception& e ){
+    Log::info( "Error while calling the legacy::Sequence::Factory" );
+    Log::info( "\t{}", e.what() );
     input.rdbuf( readBuffer );
     throw e;
   }

src/njoy21/legacy/Sequence/routines.hpp

@@ -3,17 +3,22 @@ static void ignore( T&& ){}
 
 #define DEFINE_ROUTINE( MODULE )					                                     \
   struct MODULE : public interface::Routine {                                  \
-    template< typename Char >                                                  \
-    MODULE( lipservice::iRecordStream< Char >& stream ):                       \
+    using Stream = lipservice::iRecordStream< char >;                          \
+    MODULE( lipservice::iRecordStream< char >& stream ):                       \
       interface::Routine( #MODULE )                                            \
     {                                                                          \
       lipservice::MODULE command( stream );                                    \
       ignore(command);                                                         \
     }									                                                         \
     void operator()( std::ostream&, std::ostream&, const nlohmann::json& ){    \
-      njoy_c_##MODULE();                                                       \
+      try {                                                                    \
+        njoy_c_##MODULE();                                                     \
+      } catch( std::exception& e ){                                            \
+        Log::info( "Trouble running legacy routine: {}", #MODULE );            \
+        Log::info( "{}", e.what() );                                           \
+        throw e;                                                               \
+      }                                                                        \
     }                                                                          \
-    virtual std::string name(){ return #MODULE; }                              \
   };
 
   DEFINE_ROUTINE( MODER )