Use -qmkl instead of -mkl

Author: Growl1234

.github/workflows/build.yml

@@ -2,8 +2,6 @@
 name: Build Multiwfn
 
 on:
-  push:
-    branches: [main]
   pull_request:
   workflow_dispatch:
 
@@ -160,14 +158,14 @@ jobs:
 
     - name: Test Multiwfn_noGUI
       run: |
-        cp test/{test-1.xyz,test-2.cif} $SRC/exe
+        cp tests/{test-1.xyz,test-2.cif} $SRC/exe
         cd "$SRC"/exe
         ./Multiwfn_noGUI test-1.xyz <<< "q"
         ./Multiwfn_noGUI test-2.cif <<< "q"
 
     - name: Test Multiwfn
       run: |
-        cp test/{test-1.xyz,test-2.cif} $SRC/exe
+        cp tests/{test-1.xyz,test-2.cif} $SRC/exe
         cd "$SRC"/exe
         ./Multiwfn test-1.xyz <<< "q"
         ./Multiwfn test-2.cif <<< "q"

config/makefile.include.intel

@@ -53,7 +53,7 @@ INCLUDE = -I./ -I./ext
 #   -qopenmp-link=static : statically link OpenMP runtime
 #   -stand f08        : warn on non-F2008 constructs
 COMMON = $(SIMD) $(DISDIAG) -fpscomp logicals -fpp \
-         -mkl -static-intel -DINTEL_MKL -stand f08
+         -qmkl -static-intel -DINTEL_MKL -stand f08
 
 # Build type: Release, Debug
 TYPE ?= Release