Implement LIBINT_DEPRECATED and deprecate global-scoped functions

evaleev · Sep 13, 2021 · c5cc9aa · c5cc9aa
1 parent e2d495c
commit c5cc9aa
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diff --git a/include/libint2/cgshell_ordering.h b/include/libint2/cgshell_ordering.h
@@ -63,6 +63,8 @@ namespace libint2 {
 namespace libint2 {
 inline int INT_NCART(int am) { return ((am + 2) * (am + 1)) >> 1; }
 }
+LIBINT_DEPRECATED("please use libint2::INT_NCART instead")
+inline int INT_NCART(int am) { return libint2::INT_NCART(am); }
 
 /* For a given ang. mom., am, with n cartesian functions, compute the
  * number of cartesian functions for am+1 or am-1
@@ -71,6 +73,10 @@ namespace libint2 {
 inline int INT_NCART_DEC(int am, int n) { return n - am - 1; }
 inline int INT_NCART_INC(int am, int n) { return n + am + 2; }
 }
+LIBINT_DEPRECATED("please use libint2::INT_NCART_DEC instead")
+inline int INT_NCART_DEC(int am, int n) { return libint2::INT_NCART_DEC(am, n); }
+LIBINT_DEPRECATED("please use libint2::INT_NCART_INC instead")
+inline int INT_NCART_INC(int am, int n) { return libint2::INT_NCART_INC(am, n); }
 
 //
 // Macros that define orderings
@@ -99,6 +105,8 @@ inline int INT_CARTINDEX(unsigned int am, int i, int j) {
   return (((am - i + 1) * (am - i)) >> 1) + am - i - j;
 }
 }
+LIBINT_DEPRECATED("please use libint2::INT_CARTINDEX instead")
+inline int INT_CARTINDEX(unsigned int am, int i, int j) { return libint2::INT_CARTINDEX(am, i, j); }
 
 /* This sets up the above loop over cartesian exponents as follows
  * int i, j, k;
@@ -139,6 +147,8 @@ inline int INT_CARTINDEX(unsigned int am, int i, int j) {
   return ((((am + 1) << 1)- i) * (i + 1)) >> 1 - j - 1 ;
 }
 }
+LIBINT_DEPRECATED("please use libint2::INT_CARTINDEX instead")
+inline int INT_CARTINDEX(unsigned int am, int i, int j) { return libint2::INT_CARTINDEX(am, i, j); }
 
 /* This sets up the above loop over cartesian exponents as follows
  * FOR_CART(i,j,k,am)
@@ -166,6 +176,8 @@ inline int INT_CARTINDEX(unsigned int am, int i, int j) {
   return libint2::CGShellInfo<libint2::CGShellOrderingData<libint2::CGShellOrdering_GAMESS>>::cartindex(am, i, j);
 }
 }
+LIBINT_DEPRECATED("please use libint2::INT_CARTINDEX instead")
+inline int INT_CARTINDEX(unsigned int am, int i, int j) { return libint2::INT_CARTINDEX(am, i, j); }
 
 /* This sets up the above loop over cartesian exponents as follows
  * FOR_CART(i,j,k,am)
@@ -192,6 +204,8 @@ inline int INT_CARTINDEX(unsigned int am, int i, int j) {
   return libint2::CGShellInfo<libint2::CGShellOrderingData<libint2::CGShellOrdering_ORCA>>::cartindex(am, i, j);
 }
 }
+LIBINT_DEPRECATED("please use libint2::INT_CARTINDEX instead")
+inline int INT_CARTINDEX(unsigned int am, int i, int j) { return libint2::INT_CARTINDEX(am, i, j); }
 
 /* This sets up the above loop over cartesian exponents as follows
  * FOR_CART(i,j,k,am)
@@ -228,6 +242,8 @@ inline int INT_CARTINDEX(unsigned int am, int i, int j) {
   return ((am + (i + j) + 2) * (am - (i + j) + 1) >> 1) - i -1;
 }
 }
+LIBINT_DEPRECATED("please use libint2::INT_CARTINDEX instead")
+inline int INT_CARTINDEX(unsigned int am, int i, int j) { return libint2::INT_CARTINDEX(am, i, j); }
 
 /* This sets up the above loop over cartesian exponents as follows
  * FOR_CART(i,j,k,am)
@@ -248,6 +264,8 @@ inline int INT_CARTINDEX_MOLDEN(unsigned int am, int i, int j) {
   return libint2::CGShellInfo<libint2::CGShellOrderingData<libint2::CGShellOrdering_MOLDEN, 4u>>::cartindex(am, i, j);
 }
 }
+LIBINT_DEPRECATED("please use libint2::INT_CARTINDEX_MOLDEN instead")
+inline int INT_CARTINDEX_MOLDEN(unsigned int am, int i, int j) { return libint2::INT_CARTINDEX_MOLDEN(am, i, j); }
 
 /* FOR_CART_MOLDEN(i,j,k,am)
  *   END_FOR_CART_MOLDEN

diff --git a/include/libint2/config.h.in b/include/libint2/config.h.in
@@ -347,4 +347,13 @@
 #define LIBINT_PRAGMA_GCC(x)
 #endif
 
+#ifdef __has_cpp_attribute
+#if __has_cpp_attribute(deprecated)
+#define LIBINT_DEPRECATED(msg) [[deprecated(msg)]]
+#endif
+#endif
+#ifndef LIBINT_DEPRECATED
+#define LIBINT_DEPRECATED(msg) LIBINT_XPRAGMA( LIBINT_CONCAT(message, msg) )
+#endif
+
 #endif /* header guard */
diff --git a/include/libint2/shgshell_ordering.h b/include/libint2/shgshell_ordering.h
@@ -49,6 +49,8 @@ enum SHGShellOrdering {
 namespace libint2 {
 inline int INT_SOLIDHARMINDEX(int l, int m) { return m + l; }
 }
+LIBINT_DEPRECATED("please use libint2::INT_SOLIDHARMINDEX instead")
+inline int INT_SOLIDHARMINDEX(int l, int m) { return libint2::INT_SOLIDHARMINDEX(l, m); }
 
 /* This sets up the above loop over cartesian exponents as follows
  * int m;
@@ -72,6 +74,8 @@ inline int INT_SOLIDHARMINDEX(int l, int m) {
   return 2 * std::abs(m) + (m > 0 ? -1 : 0);
 }
 }
+LIBINT_DEPRECATED("please use libint2::INT_SOLIDHARMINDEX instead")
+inline int INT_SOLIDHARMINDEX(int l, int m) { return libint2::INT_SOLIDHARMINDEX(l, m); }
 
 /* This sets up the above loop over cartesian exponents as follows
  * int m;
@@ -91,6 +95,8 @@ inline int INT_SOLIDHARMINDEX_MOLDEN(int l, int m) {
   return 2 * std::abs(m) + (m > 0 ? -1 : 0);
 }
 }
+LIBINT_DEPRECATED("please use libint2::INT_SOLIDHARMINDEX_MOLDEN instead")
+inline int INT_SOLIDHARMINDEX_MOLDEN(int l, int m) { return libint2::INT_SOLIDHARMINDEX_MOLDEN(l, m); }
 
 #define FOR_SOLIDHARM_MOLDEN(l, m) \
   for ((m) = 0; (m) != (l) + 1; (m) = ((m) > 0 ? -(m) : 1 - (m))) {