Merge pull request #15 from shoubhikraj/master

Fixes for native compile of stda on Windows

main.f

@@ -32,8 +32,12 @@ program acis_prog
       character*8 method
       integer imethod,inpchk,mform,nvec
       logical molden,da,chkinp,xtbinp
-
-      call system('date')
+      integer, dimension(8) :: datetimevals
+
+      call date_and_time(VALUES=datetimevals)
+      print '(I0,"-",I0,"-",I0,1X,I0,":",I0,":",I0,".",I3)',
+     .      datetimevals(1:3), datetimevals(5:8)
+
       write(*,'(//
      .          17x,''*********************************************'')')
       write(*,'(17x,''*                                           *'')')
@@ -512,8 +516,10 @@ program acis_prog
       call sutda(ncent,nmo,nao,xyz,cc,eps,occ,ccspin,iaoat,thre,
      .           thrp,ax,alpha,beta,ptlim,nvec)
       endif
-
-      call system('date')
+
+      call date_and_time(VALUES=datetimevals)
+      print '(I0,"-",I0,"-",I0,1X,I0,":",I0,":",I0,".",I3)',
+     .       datetimevals(1:3), datetimevals(5:8)
 
       end
 

meson.build

@@ -15,6 +15,8 @@
 # You should have received a copy of the GNU Lesser General Public License
 # along with xtb4stda.  If not, see <https://www.gnu.org/licenses/>.
 
+# modified to include options for Windows with Intel Fortran only (Shoubhik Maiti, April 2022)
+
 project('stda', 'fortran',
         version: '1.6.1',
         license: 'LGPL3',
@@ -34,23 +36,40 @@ if fc.get_id() == 'gcc'
   endif
 elif fc.get_id() == 'intel'
   add_project_arguments('-axAVX2',    language: 'fortran')
-  add_project_arguments('-traceback', language: 'fortran')
+  if get_option('buildtype') == 'debug'
+    add_project_arguments('-traceback', language: 'fortran')
+  endif
   if get_option('interface') == '64'
     add_project_arguments('-i8', language: 'fortran')
   endif
   if get_option('static')
     add_project_link_arguments('-static', language: 'fortran')
   endif
+elif fc.get_id() == 'intel-cl' # for Windows with Intel Fortran
+  add_project_arguments('-QaxCORE-AVX2',    language: 'fortran')
+  if get_option('buildtype') == 'debug'
+    add_project_arguments('-traceback', language: 'fortran')
+  endif
+  if get_option('interface') == '64'
+    add_project_arguments('-integer-size:64', language: 'fortran')
+  endif
+  if get_option('static')
+    add_project_arguments('-MT', language: 'fortran') # linker does not need MT
+  endif
 endif
 
 dependencies = []
 
 la_backend = get_option('la_backend')
 if la_backend == 'mkl'
-  libmkl = [fc.find_library('pthread')]
-  libmkl += fc.find_library('m')
-  libmkl += fc.find_library('dl')
-  if fc.get_id() == 'intel'
+  if host_machine.system() == 'windows'
+    libmkl = [fc.find_library('libiomp5md')]
+  else
+    libmkl = [fc.find_library('pthread')]
+    libmkl += fc.find_library('m')
+    libmkl += fc.find_library('dl')
+  endif
+  if (fc.get_id() == 'intel') or (fc.get_id() == 'intel-cl')
     if get_option('interface') == '64'
       libmkl += fc.find_library('mkl_intel_ilp64')
     else
@@ -66,7 +85,9 @@ if la_backend == 'mkl'
     libmkl += fc.find_library('mkl_gnu_thread')
   endif
   libmkl += fc.find_library('mkl_core')
-  libmkl += fc.find_library('iomp5')
+  if host_machine.system() != 'windows'
+    libmkl += fc.find_library('iomp5')
+  endif
   dependencies += libmkl
 elif la_backend == 'openblas'
   dependencies += fc.find_library('openblas', required : true)
@@ -84,6 +105,8 @@ if get_option('openmp')
   if fc.get_id() == 'intel'
     add_project_arguments('-qopenmp', language : 'fortran')
     add_project_link_arguments('-qopenmp', language : 'fortran')
+  elif fc.get_id() == 'intel-cl'
+    add_project_arguments('-Qopenmp', language : 'fortran')
   else
     add_project_arguments('-fopenmp', language : 'fortran')
     add_project_link_arguments('-fopenmp', language : 'fortran')