gha after fixing features

evaleev · Jan 15, 2022 · ed49e12 · ed49e12
1 parent c83bf68
commit ed49e12
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Showing 4 changed files with 75 additions and 5 deletions.
diff --git a/cmake/libint2-config.cmake.in b/cmake/libint2-config.cmake.in
@@ -95,6 +95,71 @@ set (_valid_components
     eri_c4_d1_l8
     eri_c4_d1_l9
     eri_c4_d1_l10
+    eri_c4_d2_l2
+    eri_c4_d2_l3
+    eri_c4_d2_l4
+    eri_c4_d2_l5
+    eri_c4_d2_l6
+    eri_c4_d2_l7
+    eri_c4_d2_l8
+    eri_c4_d2_l9
+    eri_c4_d2_l10
+
+    eri_c3_d0_l2
+    eri_c3_d0_l3
+    eri_c3_d0_l4
+    eri_c3_d0_l5
+    eri_c3_d0_l6
+    eri_c3_d0_l7
+    eri_c3_d0_l8
+    eri_c3_d0_l9
+    eri_c3_d0_l10
+    eri_c3_d1_l2
+    eri_c3_d1_l3
+    eri_c3_d1_l4
+    eri_c3_d1_l5
+    eri_c3_d1_l6
+    eri_c3_d1_l7
+    eri_c3_d1_l8
+    eri_c3_d1_l9
+    eri_c3_d1_l10
+    eri_c3_d2_l2
+    eri_c3_d2_l3
+    eri_c3_d2_l4
+    eri_c3_d2_l5
+    eri_c3_d2_l6
+    eri_c3_d2_l7
+    eri_c3_d2_l8
+    eri_c3_d2_l9
+    eri_c3_d2_l10
+
+    eri_c2_d0_l2
+    eri_c2_d0_l3
+    eri_c2_d0_l4
+    eri_c2_d0_l5
+    eri_c2_d0_l6
+    eri_c2_d0_l7
+    eri_c2_d0_l8
+    eri_c2_d0_l9
+    eri_c2_d0_l10
+    eri_c2_d1_l2
+    eri_c2_d1_l3
+    eri_c2_d1_l4
+    eri_c2_d1_l5
+    eri_c2_d1_l6
+    eri_c2_d1_l7
+    eri_c2_d1_l8
+    eri_c2_d1_l9
+    eri_c2_d1_l10
+    eri_c2_d2_l2
+    eri_c2_d2_l3
+    eri_c2_d2_l4
+    eri_c2_d2_l5
+    eri_c2_d2_l6
+    eri_c2_d2_l7
+    eri_c2_d2_l8
+    eri_c2_d2_l9
+    eri_c2_d2_l10
 
     ss
     so

diff --git a/cmake/modules/int_am.cmake b/cmake/modules/int_am.cmake
@@ -246,9 +246,13 @@ process_integrals_class(G12DKH)
 # form list of active <class>_<deriv><max_am> strings to use in Libint2Config
 set(Libint2_ERI_COMPONENTS "")
 foreach(_cls ERI;ERI3;ERI2)
-# todo use eri4_d0_l2 or eri_c4_d0_l2
-    string(TOLOWER ${_cls} _lbl)
-    #set(_lbl "${_lbl}_")
+    if (_cls STREQUAL "ERI")
+        set(_lbl "eri_c4")
+    elseif (_cls STREQUAL "ERI3")
+        set(_lbl "eri_c3")
+    elseif (_cls STREQUAL "ERI2")
+        set(_lbl "eri_c2")
+    endif()
 
     if (INCLUDE_${_cls} GREATER -1)
         foreach (_d RANGE 0 ${INCLUDE_${_cls}})

diff --git a/cmake/modules/int_computed.cmake.in b/cmake/modules/int_computed.cmake.in
@@ -47,4 +47,5 @@ set(LIBINT2_SHELL_SET "@LIBINT2_SHELL_SET@")
 # <<<  AM Components  >>>
 
 set(Libint2_ERI_COMPONENTS "@Libint2_ERI_COMPONENTS@")
-set(Libint2_MAX_AM_ERI "@_candidate_ERI_E@")
+set(Libint2_MAX_AM_ERI "@_candidate_ERI_d0@")  # for CMake config file
+set(Libint2_ERI_MAX_AM "@_candidate_ERI_d0@")  # for features file
diff --git a/src/lib/libint/features.in b/src/lib/libint/features.in
@@ -1,7 +1,7 @@
 LIBINT_SUPPORTS_ONEBODY = @LIBINT_SUPPORTS_ONEBODY@
 LIBINT_ONEBODY_DERIV = @LIBINT_ONEBODY_DERIV@
 LIBINT_SUPPORTS_ERI = @LIBINT_SUPPORTS_ERI@
-LIBINT_ERI_MAX_AM = @ERI_MAX_AM@
+LIBINT_ERI_MAX_AM = @Libint2_ERI_MAX_AM@
 LIBINT_ERI_DERIV = @LIBINT_ERI_DERIV@
 LIBINT_CONTRACTED_INTS = @LIBINT_CONTRACTED_INTS@
 LIBINT_SHELL_SET = @LIBINT_SHELL_SET@