easyconfigs-it4i/p/PSPFFT/PSPFFT-1.0-intel-2021b.eb
Jakub Kropacek 8dcb965f9c new file: d/DL_MG/DL_MG-2.1.4-intel-2021b.eb
new file:   d/DL_MG/DL_MG-3.0.0-intel-2021b-disable-openmp.patch
	new file:   d/DL_MG/DL_MG-3.0.0-intel-2021b.eb
	new file:   i/iimpi/iimpi-2021b-VASP-SCPC.eb
	new file:   p/PSPFFT/PSPFFT-1.0-intel-2021b.eb
	new file:   p/PSPFFT/pspfft-1.0-intel-2021b-makefile-setup.patch
	new file:   p/phonopy/phonopy-2.15.1-conda.eb
	new file:   v/VASP/VASP-6.3.2-intel-2021b-SCPC.eb
	deleted:    p/phonopy/phonopy-2.15.0-conda.eb
2022-08-15 14:53:44 +02:00

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# IT4Innovations 2022
# JK
easyblock = 'MakeCp'
name = 'PSPFFT'
version = '1.0'
homepage = 'http://eagle.phys.utk.edu/pspfft/trac/'
description = """PSPFFT is a library to solve Poisson's equation for an isolated system on a three-dimensional unigrid mesh using FFTs. The solver is parallelized using MPI. An arbitrary number of processors may be used (subject to some constraints). The program has been tested on from 1 up to 13,000 MPI processes."""
toolchain = {'name': 'intel', 'version': '2021b'}
toolchainopts = {'usempi': True, 'openmp': False}
source_urls = ['http://eagle.phys.utk.edu/pspfft/trac/raw-attachment/wiki/Download/']
sources = ['%(namelower)s-%(version)s.tar.gz']
patches = ['pspfft-1.0-intel-2021b-makefile-setup.patch']
checksums = [
'8cd62f350271af54cf7d3119201cbdff3e26cd6447558f79e3711b8f8a9e0207', # pspfft-1.0.tar.gz
'849abfb25aee9c85926e30f4e92d2f53b83f8f389572d7369aacb627e16253a1', # pspfft-1.0-intel-2021b-makefile-setup.patch
]
build_cmd = 'cd Build && make '
postinstallcmds = [
' cd Build && make install && cd ../ ',
' mkdir -p %(installdir)s/lib ',
' mkdir -p %(installdir)s/include ',
' cp %(builddir)s/%(namelower)s-%(version)s/install/include/* %(installdir)s/include ',
' cp %(builddir)s/%(namelower)s-%(version)s/install/lib/libpspfft.a %(installdir)s/lib '
]
files_to_copy = ''
sanity_check_paths = {
'files': ['lib/libpspfft.a'],
'dirs': ['lib', 'include']
}
moduleclass = 'phys'