add support for FFTW.MPI toolchain component ($FFT*DIR variables)

easybuild/toolchains/fft/fftw.py

@@ -33,6 +33,7 @@
 
 from easybuild.tools.build_log import EasyBuildError
 from easybuild.tools.toolchain.fft import Fft
+from easybuild.tools.modules import get_software_root
 
 
 class Fftw(Fft):
@@ -56,6 +57,11 @@ def _set_fftw_variables(self):
         fftw_libs = ["fftw%s" % suffix]
         if self.options.get('usempi', False):
             fftw_libs.insert(0, "fftw%s_mpi" % suffix)
+            fftwmpiroot = get_software_root('FFTW.MPI')
+            if fftwmpiroot:
+                # get libfft%_mpi via the FFTW.MPI module
+                self.FFT_MODULE_NAME = ['FFTW.MPI']
+
         fftw_libs_mt = ["fftw%s" % suffix]
         if self.options.get('openmp', False):
             fftw_libs_mt.insert(0, "fftw%s_omp" % suffix)

test/framework/modules.py

@@ -54,7 +54,7 @@
 
 
 # number of modules included for testing purposes
-TEST_MODULES_COUNT = 87
+TEST_MODULES_COUNT = 90
 
 
 class ModulesTest(EnhancedTestCase):

test/framework/modules/FFTW.MPI/3.3.7

@@ -0,0 +1,31 @@
+#%Module
+
+proc ModulesHelp { } {
+    puts stderr {   FFTW is a C subroutine library for computing the discrete Fourier transform (DFT)
+in one or more dimensions, of arbitrary input size, and of both real and complex data. - Homepage: http://www.fftw.org
+}
+}
+
+module-whatis {FFTW is a C subroutine library for computing the discrete Fourier transform (DFT)
+in one or more dimensions, of arbitrary input size, and of both real and complex data. - Homepage: http://www.fftw.org}
+
+set root    /home-2/khoste/.local/easybuild/software/FFTW.MPI/3.3.7
+
+conflict    FFTW.MPI
+
+if { ![is-loaded gompi/2018a] } {
+    module load gompi/2018a
+}
+
+prepend-path	CPATH		$root/include
+prepend-path	LD_LIBRARY_PATH		$root/lib
+prepend-path	MANPATH		$root/share/man
+prepend-path	PATH		$root/bin
+prepend-path	PKG_CONFIG_PATH		$root/lib/pkgconfig
+
+setenv	EBROOTFFTWMPI		"$root"
+setenv	EBVERSIONFFTWMPI		"3.3.7"
+setenv	EBDEVELFFTWMPI		"$root/easybuild/FFTW.MPI-3.3.7-easybuild-devel"
+
+
+# built with EasyBuild version 1.4.0dev

test/framework/modules/FFTW/3.3.7

@@ -0,0 +1,31 @@
+#%Module
+
+proc ModulesHelp { } {
+    puts stderr {   FFTW is a C subroutine library for computing the discrete Fourier transform (DFT)
+in one or more dimensions, of arbitrary input size, and of both real and complex data. - Homepage: http://www.fftw.org
+}
+}
+
+module-whatis {FFTW is a C subroutine library for computing the discrete Fourier transform (DFT)
+in one or more dimensions, of arbitrary input size, and of both real and complex data. - Homepage: http://www.fftw.org}
+
+set root    /home-2/khoste/.local/easybuild/software/FFTW/3.3.7
+
+conflict    FFTW
+
+if { ![is-loaded gompi/2018a] } {
+    module load gompi/2018a
+}
+
+prepend-path	CPATH		$root/include
+prepend-path	LD_LIBRARY_PATH		$root/lib
+prepend-path	MANPATH		$root/share/man
+prepend-path	PATH		$root/bin
+prepend-path	PKG_CONFIG_PATH		$root/lib/pkgconfig
+
+setenv	EBROOTFFTW		"$root"
+setenv	EBVERSIONFFTW		"3.3.7"
+setenv	EBDEVELFFTW		"$root/easybuild/FFTW-3.3.7-easybuild-devel"
+
+
+# built with EasyBuild version 1.4.0dev

test/framework/modules/foss/2018a-FFTW.MPI

@@ -0,0 +1,46 @@
+#%Module
+
+proc ModulesHelp { } {
+    puts stderr {   GCC based compiler toolchain including
+ OpenMPI for MPI support, OpenBLAS (BLAS and LAPACK support), FFTW and ScaLAPACK. - Homepage: (none)
+}
+}
+
+module-whatis {GCC based compiler toolchain including
+ OpenMPI for MPI support, OpenBLAS (BLAS and LAPACK support), FFTW and ScaLAPACK. - Homepage: (none)}
+
+set root    /prefix/software/foss/2018a
+
+conflict    foss
+
+if { ![is-loaded GCC/6.4.0-2.28] } {
+    module load GCC/6.4.0-2.28
+}
+
+if { ![is-loaded OpenMPI/2.1.2-GCC-6.4.0-2.28] } {
+    module load OpenMPI/2.1.2-GCC-6.4.0-2.28
+}
+
+if { ![is-loaded OpenBLAS/0.2.20-GCC-6.4.0-2.28] } {
+    module load OpenBLAS/0.2.20-GCC-6.4.0-2.28
+}
+
+if { ![is-loaded FFTW/3.3.7] } {
+    module load FFTW/3.3.7
+}
+
+if { ![is-loaded FFTW.MPI/3.3.7 ] } {
+    module load FFTW.MPI/3.3.7
+}
+
+if { ![is-loaded ScaLAPACK/2.0.2-gompi-2018a-OpenBLAS-0.2.20] } {
+    module load ScaLAPACK/2.0.2-gompi-2018a-OpenBLAS-0.2.20
+}
+
+
+setenv	EBROOTFOSS		"$root"
+setenv	EBVERSIONFOSS		"2018a"
+setenv	EBDEVELFOSS		"$root/easybuild/foss-2018a-easybuild-devel"
+
+
+# built with EasyBuild version 1.4.0dev

test/framework/toolchain.py

@@ -1017,6 +1017,60 @@ def test_fft_env_vars_foss(self):
         self.assertEqual(tc.get_variable('LIBFFT'), '-lfftw3_mpi -lfftw3')
         self.assertEqual(tc.get_variable('LIBFFT_MT'), '-lfftw3 -lpthread')
 
+        self.modtool.purge()
+        self.setup_sandbox_for_foss_fftw(self.test_prefix)
+        self.modtool.prepend_module_path(self.test_prefix)
+
+        tc = self.get_toolchain('foss', version='2018a-FFTW.MPI')
+        tc.prepare()
+
+        fft_static_libs = 'libfftw3.a'
+        self.assertEqual(tc.get_variable('FFT_STATIC_LIBS'), fft_static_libs)
+        self.assertEqual(tc.get_variable('FFTW_STATIC_LIBS'), fft_static_libs)
+
+        fft_static_libs_mt = 'libfftw3.a,libpthread.a'
+        self.assertEqual(tc.get_variable('FFT_STATIC_LIBS_MT'), fft_static_libs_mt)
+        self.assertEqual(tc.get_variable('FFTW_STATIC_LIBS_MT'), fft_static_libs_mt)
+
+        self.assertEqual(tc.get_variable('LIBFFT'), '-lfftw3')
+        self.assertEqual(tc.get_variable('LIBFFT_MT'), '-lfftw3 -lpthread')
+
+        fft_lib_dir = os.path.join(modules.get_software_root('FFTW'), 'lib')
+        self.assertEqual(tc.get_variable('FFT_LIB_DIR'), fft_lib_dir)
+
+        tc = self.get_toolchain('foss', version='2018a-FFTW.MPI')
+        tc.set_options({'openmp': True})
+        tc.prepare()
+
+        self.assertEqual(tc.get_variable('FFT_STATIC_LIBS'), fft_static_libs)
+        self.assertEqual(tc.get_variable('FFTW_STATIC_LIBS'), fft_static_libs)
+
+        self.assertEqual(tc.get_variable('FFT_STATIC_LIBS_MT'), 'libfftw3_omp.a,' + fft_static_libs_mt)
+        self.assertEqual(tc.get_variable('FFTW_STATIC_LIBS_MT'), 'libfftw3_omp.a,' + fft_static_libs_mt)
+
+        self.assertEqual(tc.get_variable('LIBFFT'), '-lfftw3')
+        self.assertEqual(tc.get_variable('LIBFFT_MT'), '-lfftw3_omp -lfftw3 -lpthread')
+
+        fft_lib_dir = os.path.join(modules.get_software_root('FFTW'), 'lib')
+        self.assertEqual(tc.get_variable('FFT_LIB_DIR'), fft_lib_dir)
+
+        tc = self.get_toolchain('foss', version='2018a-FFTW.MPI')
+        tc.set_options({'usempi': True})
+        tc.prepare()
+
+        fft_static_libs = 'libfftw3_mpi.a,libfftw3.a'
+        self.assertEqual(tc.get_variable('FFT_STATIC_LIBS'), fft_static_libs)
+        self.assertEqual(tc.get_variable('FFTW_STATIC_LIBS'), fft_static_libs)
+
+        self.assertEqual(tc.get_variable('FFT_STATIC_LIBS_MT'), fft_static_libs_mt)
+        self.assertEqual(tc.get_variable('FFTW_STATIC_LIBS_MT'), fft_static_libs_mt)
+
+        self.assertEqual(tc.get_variable('LIBFFT'), '-lfftw3_mpi -lfftw3')
+        self.assertEqual(tc.get_variable('LIBFFT_MT'), '-lfftw3 -lpthread')
+
+        fft_lib_dir = os.path.join(modules.get_software_root('FFTW.MPI'), 'lib')
+        self.assertEqual(tc.get_variable('FFT_LIB_DIR'), fft_lib_dir)
+
     def test_fft_env_vars_intel(self):
         """Test setting of $FFT* environment variables using intel toolchain."""
 
@@ -1168,6 +1222,33 @@ def test_fosscuda(self):
         # check CUDA runtime lib
         self.assertTrue("-lrt -lcudart" in tc.get_variable('LIBS'))
 
+    def setup_sandbox_for_foss_fftw(self, moddir, fftwver='3.3.7'):
+        """Set up sandbox for foss FFTW and FFTW.MPI"""
+        # hack to make foss FFTW lib check pass
+        # create dummy FFTW and FFTW.MPI modules
+
+        fftw_module_path = os.path.join(moddir, 'FFTW', fftwver)
+        fftw_dir = os.path.join(self.test_prefix, 'software', 'FFTW', fftwver)
+
+        fftw_mod_txt = '\n'.join([
+            "#%Module",
+            "setenv EBROOTFFTW %s" % fftw_dir,
+            "setenv EBVERSIONFFTW %s" % fftwver,
+        ])
+        write_file(fftw_module_path, fftw_mod_txt)
+
+        fftw_mpi_module_path = os.path.join(moddir, 'FFTW.MPI', fftwver)
+        fftw_mpi_dir = os.path.join(self.test_prefix, 'software', 'FFTW.MPI', fftwver)
+        fftw_mpi_mod_txt = '\n'.join([
+            "#%Module",
+            "setenv EBROOTFFTWMPI %s" % fftw_mpi_dir,
+            "setenv EBVERSIONFFTWMPI %s" % fftwver,
+        ])
+        write_file(fftw_mpi_module_path, fftw_mpi_mod_txt)
+
+        os.makedirs(os.path.join(fftw_dir, 'lib'))
+        os.makedirs(os.path.join(fftw_mpi_dir, 'lib'))
+
     def setup_sandbox_for_intel_fftw(self, moddir, imklver='2018.1.163'):
         """Set up sandbox for Intel FFTW"""
         # hack to make Intel FFTW lib check pass