Merge branch 'master' into qmmm

[alexxy/gromacs.git] / configure.ac

diff --git a/configure.ac b/configure.ac
index cd4c2e7ee46cdbcbea6d9c57f36f1e9c67c1a726..4b9c98d042f7d4a35a4ea32235a83973b332fe82 100644 (file)
--- a/configure.ac
+++ b/configure.ac
@@ -263,6 +263,15 @@ if test "$with_qmmm_mopac" = "yes"; then
   AC_DEFINE(GMX_QMMM_MOPAC,,[Use (modified) Mopac 7 for QM-MM calculations])
 fi
 
+
+AC_ARG_WITH(qmmm_orca,
+              [AC_HELP_STRING([--without-qmmm-mopac],
+                              [Use ORCA for QM-MM])],,with_qmmm_orca=no)
+if test "$with_qmmm_orca"="yes"; then
+  AC_DEFINE(GMX_QMMM_ORCA,,[Use ORCA for QM-MM calculations])
+fi
+
+
 AC_ARG_WITH(dlopen,
             [AC_HELP_STRING([--without-dlopen],
                             [do not compile with dlopen, needed to read VMD]
@@ -270,8 +279,6 @@ AC_ARG_WITH(dlopen,
 
 
 
-   
-
 ############################################################
 # Add some debug info: Who is building, and on what machine?
 ############################################################