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new file: c/ctffind/ctffind-4.1.14-foss-2021a.eb new file: f/FFTW.MPI/FFTW.MPI-3.3.8-NVHPC-22.2.eb modified: f/FFTW/FFTW-3.3.10-NVHPC-22.2-amd.eb new file: f/FFTW/FFTW-3.3.8-NVHPC-22.2-amd.eb new file: f/FFTW/FFTW-3.3.8-NVHPC-22.2.eb modified: h/HDF5/HDF5-1.12.1-NVHPC-22.2.eb new file: h/HDF5/HDF5-1.12.2-gompi-2022a.eb new file: h/HDF5/HDF5-1.12.2-iimpi-2022a.eb new file: l/libxsmm/libxsmm-1.17-GCC-11.3.0.eb new file: p/PLUMED/PLUMED-2.8.0-foss-2022a.eb new file: q/QD/QD-2.3.17-NVHPC-22.2.eb modified: q/QuantumESPRESSO/QuantumESPRESSO-7.1-foss-2022a.eb modified: q/QuantumESPRESSO/QuantumESPRESSO-7.1-intel-2022a.eb new file: r/RELION/RELION-4.0-beta-foss-2021a.eb new file: s/ScaLAPACK/ScaLAPACK-3.0-NVHPC-22.2.eb new file: v/VASP/VASP-6.3.2-NVHPC-22.2-CUDA-11.6.0-adjust-makefile.patch modified: v/VASP/VASP-6.3.2-NVHPC-22.2-CUDA-11.6.0.eb new file: x/xxd/xxd-8.2.4220-GCCcore-11.3.0.eb deleted: f/FFTW.MPI/FFTW.MPI-3.3.10-gompi-2022a.eb deleted: h/HDF5/HDF5-1.13.1-gompi-2022a.eb deleted: h/HDF5/HDF5-1.13.1-iimpi-2022a.eb
50 lines
1.4 KiB
Plaintext
50 lines
1.4 KiB
Plaintext
# IT4Innovations 2022
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# LK JK
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easyblock = 'CMakeMake'
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name = 'ScaLAPACK'
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version = '3.0'
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homepage = 'https://www.netlib.org/scalapack/'
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description = """The ScaLAPACK (or Scalable LAPACK) library includes a subset of LAPACK routines
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redesigned for distributed memory MIMD parallel computers."""
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toolchain = {'name': 'NVHPC', 'version': '22.2'}
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toolchainopts = {'pic': True}
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# https://github.com/amd/scalapack/archive/3.0.tar.gz
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source_urls = ['https://github.com/amd/scalapack/archive/']
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sources = ['%(version)s.tar.gz']
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checksums = ['6e6f3578f44a8e64518d276e7580530599ecfa8729f568303ed2590688e7096f']
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builddependencies = [
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('CMake', '3.18.4'),
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]
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dependencies = [
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('OpenMPI', '4.1.2', '-CUDA-11.6.0'),
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('BLIS', '3.0.1'),
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('libFLAME', '5.2.0'),
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]
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# Config Opts based on AOCL User Guide:
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# https://developer.amd.com/wp-content/resources/AOCL_User%20Guide_2.2.pdf
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configopts = '-DBUILD_SHARED_LIBS=ON '
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configopts += '-DBLAS_LIBRARIES="$EBROOTBLIS/lib/libblis-mt.a" '
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configopts += '-DLAPACK_LIBRARIES="$EBROOTLIBFLAME/lib/libflame.a" '
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configopts += '-DCMAKE_C_COMPILER=mpicc '
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configopts += '-DCMAKE_Fortran_COMPILER=mpif90 '
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configopts += '-DUSE_OPTIMIZED_LAPACK_BLAS=ON '
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configopts += '-DUSE_F2C=ON '
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configopts += '-DCMAKE_Fortran_FLAGS="-lpthread -fopenmp $DCMAKE_Fortran_FLAGS" '
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sanity_check_paths = {
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'files': ['lib/libscalapack.%s' % SHLIB_EXT, 'lib64/libscalapack.%s' % SHLIB_EXT],
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'dirs': ["lib", "lib64"],
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}
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moduleclass = 'numlib'
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