Merge pull request #2069 from boegel/cp2k_update

update CP2K easyblock for recent versions (>= 7.0)

Author: migueldiascosta

easybuild/easyblocks/c/cp2k.py

@@ -409,6 +409,9 @@ def configure_common(self):
             options['LIBINTLIB'] = '%s/lib' % libint
             options['LIBS'] += ' %s -lstdc++ %s' % (libint_libs, libint_wrapper)
 
+            # add Libint include dir to $FCFLAGS
+            options['FCFLAGS'] += ' -I' + os.path.join(libint, 'include')
+
         else:
             # throw a warning, since CP2K without Libint doesn't make much sense
             self.log.warning("Libint module not loaded, so building without Libint support")
@@ -618,19 +621,20 @@ def build_step(self):
         -build_and_install
         """
 
-        makefiles = os.path.join(self.cfg['start_dir'], 'makefiles')
-        change_dir(makefiles)
+        if LooseVersion(self.version) < LooseVersion('7.0'):
+            makefiles = os.path.join(self.cfg['start_dir'], 'makefiles')
+            change_dir(makefiles)
 
-        # modify makefile for parallel build
-        parallel = self.cfg['parallel']
-        if parallel:
+            # modify makefile for parallel build
+            parallel = self.cfg['parallel']
+            if parallel:
 
-            try:
-                for line in fileinput.input('Makefile', inplace=1, backup='.orig.patchictce'):
-                    line = re.sub(r"^PMAKE\s*=.*$", "PMAKE\t= $(SMAKE) -j %s" % parallel, line)
-                    sys.stdout.write(line)
-            except IOError as err:
-                raise EasyBuildError("Can't modify/write Makefile in %s: %s", makefiles, err)
+                try:
+                    for line in fileinput.input('Makefile', inplace=1, backup='.orig.patchictce'):
+                        line = re.sub(r"^PMAKE\s*=.*$", "PMAKE\t= $(SMAKE) -j %s" % parallel, line)
+                        sys.stdout.write(line)
+                except IOError as err:
+                    raise EasyBuildError("Can't modify/write Makefile in %s: %s", makefiles, err)
 
         # update make options with MAKE
         self.cfg.update('buildopts', 'MAKE="make -j %s"' % self.cfg['parallel'])