atompaw: use autotoolsPackage and support Fujitsu compiler. (#28471)

* atompaw: use autotoolsPackage and support Fujitsu compiler.

var/spack/repos/builtin/packages/atompaw/atompaw-4.1.1.0-fix-fujitsu.patch

@@ -0,0 +1,40 @@
+--- spack-src/src/io_tools.F90	2021-10-08 13:30:58.000000000 +0900
++++ spack-src/src/io_tools.F90.new	2021-10-08 13:30:30.000000000 +0900
+@@ -12,6 +12,9 @@
+ #if defined (__INTEL_COMPILER)
+  USE IFPORT
+ #endif
++#if defined(__FUJITSU)
++use service_routines
++#endif
+  IMPLICIT NONE
+ 
+  PRIVATE
+--- spack-src/src/excor.F90	2021-10-08 16:04:49.000000000 +0900
++++ spack-src/src/excor.F90.new	2021-10-08 16:12:28.000000000 +0900
+@@ -11,6 +11,9 @@
+ 
+ MODULE excor
+ 
++#if defined(__FUJITSU)
++  USE, intrinsic :: ieee_arithmetic
++#endif
+   USE io_tools
+   USE Tools
+   USE globalmath
+@@ -589,8 +592,15 @@
+         deallocate(grad,gradmag,gxc,dgxcdr,dfxcdgbg)
+         !  not sure why/if this is needed
+         do i=1,n
++#if defined(__FUJITSU)
++           if (ieee_support_nan(tmpv(i))) then
++               if (ieee_is_nan(tmpv(i))) tmpv(i)=0.d0
++               if (ieee_is_nan(exci(i))) exci(i)=0.d0
++           endif
++#else
+            if (isnan(tmpv(i))) tmpv(i)=0.d0
+            if (isnan(exci(i))) exci(i)=0.d0
++#endif
+         enddo   
+        elseif (libxc_ismgga()) then
+         write(std_out,*) '  atompaw not yet available for mgga -- stop '

var/spack/repos/builtin/packages/atompaw/package.py

@@ -7,7 +7,7 @@
 from spack import *
 
 
-class Atompaw(Package):
+class Atompaw(AutotoolsPackage):
     """A Projector Augmented Wave (PAW) code for generating
     atom-centered functions.
 
@@ -30,19 +30,23 @@ class Atompaw(Package):
     depends_on('libxc@:2', when='@:4.0')
 
     patch('atompaw-4.1.1.0-fix-ifort.patch', when='@4.1.1.0:')
+    patch('atompaw-4.1.1.0-fix-fujitsu.patch', when='@4.1.1.0 %fj')
 
-    def install(self, spec, prefix):
+    parallel = False
-        options = ['--prefix=%s' % prefix]
 
+    def flag_handler(self, name, flags):
+        if self.spec.satisfies('%fj') and name  == 'fflags':
+            opt_flag_found = any(f in self.compiler.opt_flags for f in flags)
+            if not opt_flag_found:
+                flags.append('-Kfast')
+        return (flags, None, None)
+
+    def configure_args(self):
+        spec = self.spec
         linalg = spec['lapack'].libs + spec['blas'].libs
-        options.extend([
+        return [
             "--with-linalg-libs=%s" % linalg.ld_flags,
             "--enable-libxc",
             "--with-libxc-incs=-I%s" % spec["libxc"].prefix.include,
             "--with-libxc-libs=-L%s -lxcf90 -lxc" % spec["libxc"].prefix.lib,
-        ])
+        ]
-
-        configure(*options)
-        make(parallel=False)  # parallel build fails
-        make("check")
-        make("install")