updated int_am to use "new" component names

evaleev · Jan 14, 2022 · d3694ca · d3694ca
1 parent e886334
commit d3694ca
Showing 1 changed file with 13 additions and 20 deletions.
diff --git a/cmake/modules/int_am.cmake b/cmake/modules/int_am.cmake
@@ -23,18 +23,19 @@ if (_ntokens GREATER 1)
     set(_max_am 0)
     math(EXPR _max_deriv "${_ntokens} - 1")
     foreach(_d RANGE 0 ${_max_deriv})
-        list(GET WITH_MAX_AM ${_d} _candidate0_d${_d})
-        if (${_candidate0_d${_d}} GREATER _max_am)
-            set(_max_am ${_candidate0_d${_d}})
+        list(GET WITH_MAX_AM ${_d} _max_am_default_d${_d})
+        if (${_max_am_default_d${_d}} GREATER _max_am)
+            set(_max_am ${_max_am_default_d${_d}})
         endif()
     endforeach()
 
     list(JOIN WITH_MAX_AM "," _sam)
     set(LIBINT_MAX_AM_LIST ${_sam})
     set(LIBINT_MAX_AM ${_max_am})  # only overall LIBINT, not specific integrals classes, sets both MAX_AM & MAX_AM_LIST
+    set(_max_LIBINT_MAX_AM ${LIBINT_MAX_AM})
 else()
     set(_given_max_am_list FALSE)
-    set(_candidate0_d0 ${WITH_MAX_AM})
+    set(_max_am_default ${WITH_MAX_AM})
 
     set(LIBINT_MAX_AM_LIST "")
     set(LIBINT_MAX_AM ${WITH_MAX_AM})
@@ -81,6 +82,7 @@ if (_ntokens GREATER 1)
 else()
     set(LIBINT_OPT_AM_LIST "")
     message(STATUS "WITH_OPT_AM=${WITH_OPT_AM}")
+    message(STATUS "_max_LIBINT_MAX_AM=${_max_LIBINT_MAX_AM}")
     if (WITH_OPT_AM EQUAL -1)
         math(EXPR LIBINT_OPT_AM "${_max_LIBINT_MAX_AM}/2 + 1")
         #math(EXPR LIBINT_OPT_AM "${_max_LIBINT_MAX_AM}/2 + ${_max_LIBINT_MAX_AM}%2")
@@ -100,7 +102,6 @@ message(STATUS "LIBINT_OPT_AM_LIST=${LIBINT_OPT_AM_LIST} LIBINT_OPT_AM=${LIBINT_
 macro(process_integrals_class class)
     if (ENABLE_${class} GREATER_EQUAL 0)
         set(INCLUDE_${class} ${ENABLE_${class}})
-        set(_candidate0_${class}_d${INCLUDE_${class}} ${_candidate0_d${INCLUDE_${class}}})
         set(LIBINT_SUPPORTS_${class} yes)
         set(LIBINT_${class}_DERIV ${INCLUDE_${class}})
         message(STATUS "Enabling integrals class ${class} to derivative ${INCLUDE_${class}}")
@@ -116,7 +117,7 @@ macro(process_integrals_class class)
         if (_ntokens GREATER 1)
             math(EXPR _max_deriv "${_ntokens} - 1")
             foreach(_d RANGE 0 ${_max_deriv})
-                list(GET WITH_${class}_MAX_AM _d _candidate_${class}_d${_d})
+                list(GET WITH_${class}_MAX_AM _d _max_am_${class}_d${_d})
             endforeach()
 
             list(JOIN WITH_${class}_MAX_AM "," _sam)
@@ -126,21 +127,13 @@ macro(process_integrals_class class)
             set(${class}_MAX_AM_LIST "")
             if (WITH_${class}_MAX_AM EQUAL -1)
 
-                set(_candidate_${class}_E ${_candidate0_${class}_E})
-                if (${INCLUDE_${class}} GREATER_EQUAL 1)
-                    if (${_candidate0_${class}_G} EQUAL -1)
-                        set(_candidate_${class}_G ${_candidate0_${class}_E})
+                foreach(_d RANGE 0 ${INCLUDE_${class}})
+                    if (DEFINED _max_am_default_d${_d})
+                        set(_candidate_max_am_${class}_d${_d} ${_max_am_default_d${_d}})
                     else()
-                        set(_candidate_${class}_G ${_candidate0_${class}_G})
+                        set(_candidate_max_am_${class}_d${_d} ${_max_am_default})
                     endif()
-                endif()
-                if (${INCLUDE_${class}} GREATER_EQUAL 2)
-                    if (${_candidate0_${class}_H} EQUAL -1)
-                        set(_candidate_${class}_H ${_candidate0_${class}_E})
-                    else()
-                        set(_candidate_${class}_H ${_candidate0_${class}_H})
-                    endif()
-                endif()
+                endforeach()
 
                 if (${INCLUDE_${class}} GREATER_EQUAL 0)
                     set(${class}_MAX_AM ${LIBINT_MAX_AM})
@@ -211,7 +204,7 @@ foreach(_cls ERI2;ERI3;ERI4)
     set(_lbl "${_lbl}_")
 
     foreach (_deriv RANGE 0 ${INCLUDE_${_cls}})
-        foreach(_l RANGE 0 ${_candidate_${_cls}_d${_deriv}})
+        foreach(_l RANGE 0 ${_max_am_${_cls}_d${_deriv}})
             list(APPEND Libint2_ERI_COMPONENTS "${_lbl}_d${_deriv}_l${_l}")
         endforeach()
     endforeach()