Clean up intelfftw.py logic

Instead of adding and then removing interface_lib/cluster_interface_lib,
only add them if needed, so they don't need removing later.

Also check for existence of mt libraries (longer list) to be more
thorough.

Author: bartoldeman

easybuild/toolchains/fft/intelfftw.py

@@ -49,7 +49,10 @@ def _set_fftw_variables(self):
         if not hasattr(self, 'BLAS_LIB_DIR'):
             raise EasyBuildError("_set_fftw_variables: IntelFFT based on IntelMKL (no BLAS_LIB_DIR found)")
 
+        imklroot = get_software_root(self.FFT_MODULE_NAME[0])
         imklver = get_software_version(self.FFT_MODULE_NAME[0])
+        self.FFT_LIB_DIR = self.BLAS_LIB_DIR
+        self.FFT_INCLUDE_DIR = [os.path.join(d, 'fftw') for d in self.BLAS_INCLUDE_DIR]
 
         picsuff = ''
         if self.options.get('pic', None):
@@ -69,56 +72,47 @@ def _set_fftw_variables(self):
             raise EasyBuildError(error_msg)
 
         interface_lib = "fftw3xc%s%s" % (compsuff, picsuff)
-        fftw_libs = [interface_lib]
-        cluster_interface_lib = None
+        fft_lib_dirs = [os.path.join(imklroot, d) for d in self.FFT_LIB_DIR]
+
+        def fftw_lib_exists(libname):
+            """Helper function to check whether FFTW library with specified name exists."""
+            return any(os.path.exists(os.path.join(d, "lib%s.a" % libname)) for d in fft_lib_dirs)
+
+        # interface libs can be optional:
+        # MKL >= 10.2 include fftw3xc and fftw3xf interfaces in LIBBLAS=libmkl_gf/libmkl_intel
+        # See https://software.intel.com/en-us/articles/intel-mkl-main-libraries-contain-fftw3-interfaces
+        # The cluster interface libs (libfftw3x_cdft*) can be omitted if the toolchain does not provide MPI-FFTW
+        # interfaces.
+        fftw_libs = []
+        if fftw_lib_exists(interface_lib) or LooseVersion(imklver) < LooseVersion("10.2"):
+            fftw_libs = [interface_lib]
+
         if self.options.get('usempi', False):
             # add cluster interface for recent imkl versions
-            if LooseVersion(imklver) >= LooseVersion('10.3'):
+            # only get cluster_interface_lib from seperate module imkl-FFTW, rest via libmkl_gf/libmkl_intel
+            imklfftwroot = get_software_root('imkl-FFTW')
+            if LooseVersion(imklver) >= LooseVersion('10.3') and (fftw_libs or imklfftwroot):
                 suff = picsuff
                 if LooseVersion(imklver) >= LooseVersion('11.0.2'):
                     suff = bitsuff + suff
                 cluster_interface_lib = 'fftw3x_cdft%s' % suff
                 fftw_libs.append(cluster_interface_lib)
             fftw_libs.append("mkl_cdft_core")  # add cluster dft
             fftw_libs.extend(self.variables['LIBBLACS'].flatten())  # add BLACS; use flatten because ListOfList
-
-        fftw_mt_libs = fftw_libs + [x % self.BLAS_LIB_MAP for x in self.BLAS_LIB_MT]
+            if imklfftwroot:
+                fft_lib_dirs += [os.path.join(imklfftwroot, 'lib')]
+                self.FFT_LIB_DIR = [os.path.join(imklfftwroot, 'lib')]
 
         self.log.debug('fftw_libs %s' % fftw_libs.__repr__())
         fftw_libs.extend(self.variables['LIBBLAS'].flatten())  # add BLAS libs (contains dft)
         self.log.debug('fftw_libs %s' % fftw_libs.__repr__())
 
-        self.FFT_LIB_DIR = self.BLAS_LIB_DIR
-        self.FFT_INCLUDE_DIR = [os.path.join(d, 'fftw') for d in self.BLAS_INCLUDE_DIR]
-
         # building the FFTW interfaces is optional,
         # so make sure libraries are there before FFT_LIB is set
-        imklroot = get_software_root(self.FFT_MODULE_NAME[0])
-        fft_lib_dirs = [os.path.join(imklroot, d) for d in self.FFT_LIB_DIR]
-        imklfftwroot = get_software_root('imkl-FFTW')
-        if imklfftwroot:
-            # only get cluster_interface_lib from seperate module imkl-FFTW, rest via libmkl_gf/libmkl_intel
-            if self.options.get('usempi', False):
-                fft_lib_dirs += [os.path.join(imklfftwroot, 'lib')]
-                self.FFT_LIB_DIR = [os.path.join(imklfftwroot, 'lib')]
-            fftw_libs.remove(interface_lib)
-            fftw_mt_libs.remove(interface_lib)
-
-        def fftw_lib_exists(libname):
-            """Helper function to check whether FFTW library with specified name exists."""
-            return any(os.path.exists(os.path.join(d, "lib%s.a" % libname)) for d in fft_lib_dirs)
-
-        if not fftw_lib_exists(interface_lib) and LooseVersion(imklver) >= LooseVersion("10.2"):
-            # interface libs can be optional:
-            # MKL >= 10.2 include fftw3xc and fftw3xf interfaces in LIBBLAS=libmkl_gf/libmkl_intel
-            # See https://software.intel.com/en-us/articles/intel-mkl-main-libraries-contain-fftw3-interfaces
-            # The cluster interface libs (libfftw3x_cdft*) can be omitted if the toolchain does not provide MPI-FFTW
-            # interfaces.
-            fftw_libs = [lib for lib in fftw_libs if lib not in [interface_lib, cluster_interface_lib]]
-            fftw_mt_libs = [lib for lib in fftw_mt_libs if lib not in [interface_lib, cluster_interface_lib]]
+        fftw_mt_libs = fftw_libs + [x % self.BLAS_LIB_MAP for x in self.BLAS_LIB_MT]
 
         # filter out libraries from list of FFTW libraries to check for if they are not provided by Intel MKL
-        check_fftw_libs = [lib for lib in fftw_libs if lib not in ['dl', 'gfortran']]
+        check_fftw_libs = [lib for lib in fftw_mt_libs if lib not in ['dl', 'gfortran']]
 
         missing_fftw_libs = [lib for lib in check_fftw_libs if not fftw_lib_exists(lib)]
         if missing_fftw_libs:
@@ -129,6 +123,6 @@ def fftw_lib_exists(libname):
             else:
                 raise EasyBuildError(msg)
         else:
-            self.FFT_LIB = fftw_libs
+            self.FFT_LIB_MT = fftw_mt_libs
 
-        self.FFT_LIB_MT = fftw_mt_libs
+        self.FFT_LIB = fftw_libs