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new file: c/CMake/CMake-3.16.2.eb modified: c/CUDA/CUDA-10.1.243.eb modified: c/CUDA/CUDA-10.2.89.eb modified: c/CheMPS2/CheMPS2-1.8.9-intel-2017c.eb new file: c/CheMPS2/CheMPS2-1.8.9-intel-2019a.eb new file: e/ELPA/ELPA-2019.11.001-intel-2019a.eb new file: f/FFTW/FFTW-3.3.8-intel-2019a.eb new file: f/FFTW/FFTW-3.3.8.eb new file: g/gnuplot/gnuplot-5.2.8.eb new file: h/h5py/h5py-2.9.0-Py-3.7.eb new file: j/Java/Java-1.8.0_221.eb new file: l/libgcrypt/libgcrypt-1.8.4.eb new file: l/libgpg-error/libgpg-error-1.36.eb new file: l/libxc/libxc-4.3.4-intel-2019a.eb new file: l/libyaml/libyaml-0.2.2.eb new file: l/lxml/lxml-4.3.0-Py-3.7.eb new file: m/matplotlib/matplotlib-3.1.0-Py-3.7.eb new file: m/mkl/mkl-2019.5.281.eb new file: n/numpy/numpy-1.18.1-Py-3.6.eb modified: o/Octave/Octave-5.1.0-intel-2017c.eb new file: o/Octave/Octave-5.1.0-intel-2019a.eb modified: p/PSI4/PSI4-1.2.1-intel-2017c-Py-2.7.eb new file: p/PSI4/PSI4-1.2.1-intel-2019a-Py-2.7.eb new file: p/PyYAML/PyYAML-5.1.2-Py-3.6.eb new file: p/phono3py/phono3py-1.18.2-Py-3.6.eb new file: p/phonopy/phonopy-2.4.2-intel-2019a-Py-3.6.eb
35 lines
1.3 KiB
Plaintext
35 lines
1.3 KiB
Plaintext
# IT4Innovations 2020
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name = 'FFTW'
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version = '3.3.8'
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homepage = 'http://www.fftw.org'
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description = """FFTW is a C subroutine library for local_computing the discrete Fourier transform (DFT)
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in one or more dimensions, of arbitrary input size, and of both real and local_complex data."""
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toolchain = {'name': 'intel', 'version': '2019a'}
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toolchainopts = {'pic': True}
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source_urls = [homepage]
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sources = [SOURCELOWER_TAR_GZ]
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# no quad precision, requires GCC v4.6 or higher
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# see also
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# http://www.fftw.org/doc/Extended-and-quadruple-precision-in-Fortran.html
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with_quad_prec = False
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# local_compilation fails when configuring with --enable-avx-128-fma, Intel local_compilers do not support FMA4 instructions
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use_fma4 = False
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preconfigopts = "export FC='mpiifort' && "
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preconfigopts += "export CC='mpicc' && "
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preconfigopts += 'export FCFLAGS="-O3 -xAVX2" && '
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preconfigopts += "export F77='mpiifort' && "
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preconfigopts += 'export CFLAGS="-O3 -march=native -mavx2 -mfma -funsafe-loop-optimizations -funsafe-math-optimizations -ftree-vect-loop-version -ftree-vectorize" && '
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preconfigopts += 'export SCALAPACK_LDFLAG=S"-L$MKLROOT/lib/intel64 -lmkl_scalapack_lp64 -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -lmkl_blacs_intelmpi_lp64 -lpthread " && '
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preconfigopts += 'export SCALAPACK_FCFLAGS="-I$MKL_HOME/include/intel64/lp64" && '
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runtest = 'check'
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moduleclass = 'numlib'
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