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clean up PSolver and futile easyconfigs and add dynamic libs #15148

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Mar 26, 2022
Merged

clean up PSolver and futile easyconfigs and add dynamic libs #15148

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27 changes: 18 additions & 9 deletions easybuild/easyconfigs/f/futile/futile-1.8.3-foss-2020b.eb
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Original file line number Diff line number Diff line change
Expand Up @@ -10,27 +10,36 @@ description = """
"""

toolchain = {'name': 'foss', 'version': '2020b'}
toolchainopts = {'usempi': True}
toolchainopts = {'pic': True, 'usempi': True, 'openmp': True}

source_urls = ['https://launchpad.net/bigdft/%(version_major_minor)s/%(version)s/+download/']
sources = ['bigdft-suite-%(version)s.tar.gz']
checksums = ['39aeae8bd62ad5d82ed20a47006aa478d93b3751ae7929027088c2e6b8439388']
patches = ['futile_index_bug.patch']
checksums = [
'39aeae8bd62ad5d82ed20a47006aa478d93b3751ae7929027088c2e6b8439388', # bigdft-suite-1.8.3.tar.gz
'5ef5f8ad7644259da0d2d2bcb64c44b923cb64b1eedf03898d0da18228ea392f', # futile_index_bug.patch
]

unpack_options = " spred-suite/futile-%(version_major_minor)s.tar.gz --strip 1 && "
unpack_options += "tar xzf futile-%(version_major_minor)s.tar.gz --transform='s,%(version_major_minor)s,%(version)s,'"
start_dir = "futile-%(version)s"

configopts = 'CC=$MPICC FC=$MPIFC FCFLAGS="$FCLAGS -fallow-argument-mismatch" '
configopts += '--enable-mpi '
configopts += '--with-ext-linalg="-L$SCALAPACK_LIB_DIR $LIBSCALAPACK '
configopts += '-L$BLACS_LIB_DIR $LIBBLACS -L$LAPACK_LIB_DIR $LIBLAPACK -L$BLAS_LIB_DIR $LIBBLAS" '
configopts += '--with-yaml-path=$EBROOTLIBYAML '
builddependencies = [
('pkg-config', '0.29.2'),
]
dependencies = [
('libyaml', '0.2.5'),
]

preconfigopts = 'export FCFLAGS="$FCLAGS -fallow-argument-mismatch" && '

dependencies = [('libyaml', '0.2.5')]
configopts = '--enable-dynamic-libraries '
configopts += '--with-ext-linalg="$LIBSCALAPACK" '
configopts += '--with-yaml-path=$EBROOTLIBYAML '

sanity_check_paths = {
'files': ['include/futile.mod', 'include/futile.h', 'bin/futilevars.sh'] +
[('lib/libfutile-1.a', 'lib64/libfutile-1.a')],
['lib/libfutile-1.a', 'lib/libfutile-1.%s' % SHLIB_EXT],
'dirs': []
}

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27 changes: 18 additions & 9 deletions easybuild/easyconfigs/f/futile/futile-1.8.3-foss-2021a.eb
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Original file line number Diff line number Diff line change
Expand Up @@ -10,27 +10,36 @@ description = """
"""

toolchain = {'name': 'foss', 'version': '2021a'}
toolchainopts = {'usempi': True}
toolchainopts = {'pic': True, 'usempi': True, 'openmp': True}

source_urls = ['https://launchpad.net/bigdft/%(version_major_minor)s/%(version)s/+download/']
sources = ['bigdft-suite-%(version)s.tar.gz']
checksums = ['39aeae8bd62ad5d82ed20a47006aa478d93b3751ae7929027088c2e6b8439388']
patches = ['futile_index_bug.patch']
checksums = [
'39aeae8bd62ad5d82ed20a47006aa478d93b3751ae7929027088c2e6b8439388', # bigdft-suite-1.8.3.tar.gz
'5ef5f8ad7644259da0d2d2bcb64c44b923cb64b1eedf03898d0da18228ea392f', # futile_index_bug.patch
]

unpack_options = " spred-suite/futile-%(version_major_minor)s.tar.gz --strip 1 && "
unpack_options += "tar xzf futile-%(version_major_minor)s.tar.gz --transform='s,%(version_major_minor)s,%(version)s,'"
start_dir = "futile-%(version)s"

configopts = 'CC=$MPICC FC=$MPIFC FCFLAGS="$FCLAGS -fallow-argument-mismatch" '
configopts += '--enable-mpi '
configopts += '--with-ext-linalg="-L$SCALAPACK_LIB_DIR $LIBSCALAPACK '
configopts += '-L$BLACS_LIB_DIR $LIBBLACS -L$LAPACK_LIB_DIR $LIBLAPACK -L$BLAS_LIB_DIR $LIBBLAS" '
configopts += '--with-yaml-path=$EBROOTLIBYAML '
builddependencies = [
('pkg-config', '0.29.2'),
]
dependencies = [
('libyaml', '0.2.5'),
]

preconfigopts = 'export FCFLAGS="$FCLAGS -fallow-argument-mismatch" && '

dependencies = [('libyaml', '0.2.5')]
configopts = '--enable-dynamic-libraries '
configopts += '--with-ext-linalg="$LIBSCALAPACK" '
configopts += '--with-yaml-path=$EBROOTLIBYAML '

sanity_check_paths = {
'files': ['include/futile.mod', 'include/futile.h', 'bin/futilevars.sh'] +
[('lib/libfutile-1.a', 'lib64/libfutile-1.a')],
['lib/libfutile-1.a', 'lib/libfutile-1.%s' % SHLIB_EXT],
'dirs': []
}

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21 changes: 13 additions & 8 deletions easybuild/easyconfigs/f/futile/futile-1.8.3-foss-2021b.eb
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Original file line number Diff line number Diff line change
Expand Up @@ -10,7 +10,7 @@ description = """
"""

toolchain = {'name': 'foss', 'version': '2021b'}
toolchainopts = {'usempi': True}
toolchainopts = {'pic': True, 'usempi': True, 'openmp': True}

source_urls = ['https://launchpad.net/bigdft/%(version_major_minor)s/%(version)s/+download/']
sources = ['bigdft-suite-%(version)s.tar.gz']
Expand All @@ -24,17 +24,22 @@ unpack_options = " spred-suite/futile-%(version_major_minor)s.tar.gz --strip 1 &
unpack_options += "tar xzf futile-%(version_major_minor)s.tar.gz --transform='s,%(version_major_minor)s,%(version)s,'"
start_dir = "futile-%(version)s"

configopts = 'CC=$MPICC FC=$MPIFC FCFLAGS="$FCLAGS -fallow-argument-mismatch" '
configopts += '--enable-mpi '
configopts += '--with-ext-linalg="-L$SCALAPACK_LIB_DIR $LIBSCALAPACK '
configopts += '-L$BLACS_LIB_DIR $LIBBLACS -L$LAPACK_LIB_DIR $LIBLAPACK -L$BLAS_LIB_DIR $LIBBLAS" '
configopts += '--with-yaml-path=$EBROOTLIBYAML '
builddependencies = [
('pkg-config', '0.29.2'),
]
dependencies = [
('libyaml', '0.2.5'),
]

dependencies = [('libyaml', '0.2.5')]
preconfigopts = 'export FCFLAGS="$FCLAGS -fallow-argument-mismatch" && '

configopts = '--enable-dynamic-libraries '
configopts += '--with-ext-linalg="$LIBSCALAPACK" '
configopts += '--with-yaml-path=$EBROOTLIBYAML '

sanity_check_paths = {
'files': ['include/futile.mod', 'include/futile.h', 'bin/futilevars.sh'] +
[('lib/libfutile-1.a', 'lib64/libfutile-1.a')],
['lib/libfutile-1.a', 'lib/libfutile-1.%s' % SHLIB_EXT],
'dirs': []
}

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25 changes: 16 additions & 9 deletions easybuild/easyconfigs/f/futile/futile-1.8.3-intel-2020b.eb
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Original file line number Diff line number Diff line change
Expand Up @@ -10,31 +10,38 @@ description = """
"""

toolchain = {'name': 'intel', 'version': '2020b'}
toolchainopts = {'usempi': True}
toolchainopts = {'pic': True, 'usempi': True, 'openmp': True}

source_urls = ['https://launchpad.net/bigdft/%(version_major_minor)s/%(version)s/+download/']
sources = ['bigdft-suite-%(version)s.tar.gz']
patches = ['futile_intel_bug.patch']
patches = [
'futile_index_bug.patch',
'futile_intel_bug.patch',
]
checksums = [
'39aeae8bd62ad5d82ed20a47006aa478d93b3751ae7929027088c2e6b8439388', # bigdft-suite-1.8.3.tar.gz
'5ef5f8ad7644259da0d2d2bcb64c44b923cb64b1eedf03898d0da18228ea392f', # futile_index_bug.patch
'e3681e6dda9364a1be4fba937423b8ac1774c3ebfd1ff04211482df25a188e95', # futile_intel_bug.patch
]

unpack_options = " spred-suite/futile-%(version_major_minor)s.tar.gz --strip 1 && "
unpack_options += "tar xzf futile-%(version_major_minor)s.tar.gz --transform='s,%(version_major_minor)s,%(version)s,'"
start_dir = "futile-%(version)s"

configopts = 'CC=$MPICC FC=$MPIFC '
configopts += '--enable-mpi '
configopts += '--with-ext-linalg="-L$SCALAPACK_LIB_DIR $LIBSCALAPACK '
configopts += '-L$BLACS_LIB_DIR $LIBBLACS -L$LAPACK_LIB_DIR $LIBLAPACK -L$BLAS_LIB_DIR $LIBBLAS" '
configopts += '--with-yaml-path=$EBROOTLIBYAML '
builddependencies = [
('pkg-config', '0.29.2'),
]
dependencies = [
('libyaml', '0.2.5'),
]

dependencies = [('libyaml', '0.2.5')]
configopts = '--enable-dynamic-libraries '
configopts += '--with-ext-linalg="$LIBSCALAPACK" '
configopts += '--with-yaml-path=$EBROOTLIBYAML '

sanity_check_paths = {
'files': ['include/futile.mod', 'include/futile.h', 'bin/futilevars.sh'] +
[('lib/libfutile-1.a', 'lib64/libfutile-1.a')],
['lib/libfutile-1.a', 'lib/libfutile-1.%s' % SHLIB_EXT],
'dirs': []
}

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25 changes: 16 additions & 9 deletions easybuild/easyconfigs/f/futile/futile-1.8.3-intel-2021a.eb
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -10,31 +10,38 @@ description = """
"""

toolchain = {'name': 'intel', 'version': '2021a'}
toolchainopts = {'usempi': True}
toolchainopts = {'pic': True, 'usempi': True, 'openmp': True}

source_urls = ['https://launchpad.net/bigdft/%(version_major_minor)s/%(version)s/+download/']
sources = ['bigdft-suite-%(version)s.tar.gz']
patches = ['futile_intel_bug.patch']
patches = [
'futile_index_bug.patch',
'futile_intel_bug.patch',
]
checksums = [
'39aeae8bd62ad5d82ed20a47006aa478d93b3751ae7929027088c2e6b8439388', # bigdft-suite-1.8.3.tar.gz
'5ef5f8ad7644259da0d2d2bcb64c44b923cb64b1eedf03898d0da18228ea392f', # futile_index_bug.patch
'e3681e6dda9364a1be4fba937423b8ac1774c3ebfd1ff04211482df25a188e95', # futile_intel_bug.patch
]

unpack_options = " spred-suite/futile-%(version_major_minor)s.tar.gz --strip 1 && "
unpack_options += "tar xzf futile-%(version_major_minor)s.tar.gz --transform='s,%(version_major_minor)s,%(version)s,'"
start_dir = "futile-%(version)s"

configopts = 'CC=$MPICC FC=$MPIFC '
configopts += '--enable-mpi '
configopts += '--with-ext-linalg="-L$SCALAPACK_LIB_DIR $LIBSCALAPACK '
configopts += '-L$BLACS_LIB_DIR $LIBBLACS -L$LAPACK_LIB_DIR $LIBLAPACK -L$BLAS_LIB_DIR $LIBBLAS" '
configopts += '--with-yaml-path=$EBROOTLIBYAML '
builddependencies = [
('pkg-config', '0.29.2'),
]
dependencies = [
('libyaml', '0.2.5'),
]

dependencies = [('libyaml', '0.2.5')]
configopts = '--enable-dynamic-libraries '
configopts += '--with-ext-linalg="$LIBSCALAPACK" '
configopts += '--with-yaml-path=$EBROOTLIBYAML '

sanity_check_paths = {
'files': ['include/futile.mod', 'include/futile.h', 'bin/futilevars.sh'] +
[('lib/libfutile-1.a', 'lib64/libfutile-1.a')],
['lib/libfutile-1.a', 'lib/libfutile-1.%s' % SHLIB_EXT],
'dirs': []
}

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25 changes: 16 additions & 9 deletions easybuild/easyconfigs/f/futile/futile-1.8.3-intel-2021b.eb
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -10,31 +10,38 @@ description = """
"""

toolchain = {'name': 'intel', 'version': '2021b'}
toolchainopts = {'usempi': True}
toolchainopts = {'pic': True, 'usempi': True, 'openmp': True}

source_urls = ['https://launchpad.net/bigdft/%(version_major_minor)s/%(version)s/+download/']
sources = ['bigdft-suite-%(version)s.tar.gz']
patches = ['futile_intel_bug.patch']
patches = [
'futile_index_bug.patch',
'futile_intel_bug.patch',
]
checksums = [
'39aeae8bd62ad5d82ed20a47006aa478d93b3751ae7929027088c2e6b8439388', # bigdft-suite-1.8.3.tar.gz
'5ef5f8ad7644259da0d2d2bcb64c44b923cb64b1eedf03898d0da18228ea392f', # futile_index_bug.patch
'e3681e6dda9364a1be4fba937423b8ac1774c3ebfd1ff04211482df25a188e95', # futile_intel_bug.patch
]

unpack_options = " spred-suite/futile-%(version_major_minor)s.tar.gz --strip 1 && "
unpack_options += "tar xzf futile-%(version_major_minor)s.tar.gz --transform='s,%(version_major_minor)s,%(version)s,'"
start_dir = "futile-%(version)s"

configopts = 'CC=$MPICC FC=$MPIFC '
configopts += '--enable-mpi '
configopts += '--with-ext-linalg="-L$SCALAPACK_LIB_DIR $LIBSCALAPACK '
configopts += '-L$BLACS_LIB_DIR $LIBBLACS -L$LAPACK_LIB_DIR $LIBLAPACK -L$BLAS_LIB_DIR $LIBBLAS" '
configopts += '--with-yaml-path=$EBROOTLIBYAML '
builddependencies = [
('pkg-config', '0.29.2'),
]
dependencies = [
('libyaml', '0.2.5'),
]

dependencies = [('libyaml', '0.2.5')]
configopts = '--enable-dynamic-libraries '
configopts += '--with-ext-linalg="$LIBSCALAPACK" '
configopts += '--with-yaml-path=$EBROOTLIBYAML '

sanity_check_paths = {
'files': ['include/futile.mod', 'include/futile.h', 'bin/futilevars.sh'] +
[('lib/libfutile-1.a', 'lib64/libfutile-1.a')],
['lib/libfutile-1.a', 'lib/libfutile-1.%s' % SHLIB_EXT],
'dirs': []
}

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28 changes: 17 additions & 11 deletions easybuild/easyconfigs/p/PSolver/PSolver-1.8.3-foss-2020b.eb
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Original file line number Diff line number Diff line change
Expand Up @@ -9,29 +9,35 @@ description = """
"""

toolchain = {'name': 'foss', 'version': '2020b'}
toolchainopts = {'usempi': True, 'opt': True}
toolchainopts = {'pic': True, 'usempi': True, 'opt': True}

source_urls = ['https://launchpad.net/bigdft/%(version_major_minor)s/%(version)s/+download/']
sources = ['bigdft-suite-%(version)s.tar.gz']
checksums = ['39aeae8bd62ad5d82ed20a47006aa478d93b3751ae7929027088c2e6b8439388']

local_cddir = ' cd psolver-%(version_major_minor)s && '
preconfigopts = 'tar xzf psolver-%(version_major_minor)s.tar.gz &&' + local_cddir
configopts = 'CC=$MPICC FC=$MPIFC FCFLAGS="$FCFLAGS -fallow-argument-mismatch -I$EBROOTFUTILE/include" '
configopts += ' --with-ext-linalg="-L$BLACS_LIB_DIR $LIBBLACS -L$SCALAPACK_LIB_DIR $LIBSCALAPACK"'\
'" -L$BLAS_LIB_DIR $LIBBLAS -L$LAPACK_LIB_DIR $LIBLAPACK" '
configopts += ' --with-mpi3 '
prebuildopts = local_cddir
preinstallopts = local_cddir
builddependencies = [
('pkg-config', '0.29.2'),
]

dependencies = [
('libyaml', '0.2.5'),
('futile', '1.8.3')
('futile', '1.8.3'),
]

local_cddir = ' cd psolver-%(version_major_minor)s && '
preconfigopts = 'tar xzf psolver-%(version_major_minor)s.tar.gz &&' + local_cddir
preconfigopts += 'export FCFLAGS="$FCFLAGS -fallow-argument-mismatch" && '

configopts = '--enable-dynamic-libraries '
configopts += '--with-futile-incs=-I$EBROOTFUTILE/include '
configopts += '--with-ext-linalg="$LIBSCALAPACK" '

prebuildopts = local_cddir
preinstallopts = local_cddir

sanity_check_paths = {
'files': ['include/poisson_solver.mod'] +
[('lib/libPSolver-1.a', 'lib64/libPSolver-1.a')],
['lib/libPSolver-1.a', 'lib/libPSolver-1.%s' % SHLIB_EXT],
'dirs': []
}

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28 changes: 17 additions & 11 deletions easybuild/easyconfigs/p/PSolver/PSolver-1.8.3-foss-2021a.eb
View file
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Original file line number Diff line number Diff line change
Expand Up @@ -9,29 +9,35 @@ description = """
"""

toolchain = {'name': 'foss', 'version': '2021a'}
toolchainopts = {'usempi': True, 'opt': True}
toolchainopts = {'pic': True, 'usempi': True, 'opt': True}

source_urls = ['https://launchpad.net/bigdft/%(version_major_minor)s/%(version)s/+download/']
sources = ['bigdft-suite-%(version)s.tar.gz']
checksums = ['39aeae8bd62ad5d82ed20a47006aa478d93b3751ae7929027088c2e6b8439388']

local_cddir = ' cd psolver-%(version_major_minor)s && '
preconfigopts = 'tar xzf psolver-%(version_major_minor)s.tar.gz &&' + local_cddir
configopts = 'CC=$MPICC FC=$MPIFC FCFLAGS="$FCFLAGS -fallow-argument-mismatch -I$EBROOTFUTILE/include" '
configopts += ' --with-ext-linalg="-L$BLACS_LIB_DIR $LIBBLACS -L$SCALAPACK_LIB_DIR $LIBSCALAPACK"'\
'" -L$BLAS_LIB_DIR $LIBBLAS -L$LAPACK_LIB_DIR $LIBLAPACK" '
configopts += ' --with-mpi3 '
prebuildopts = local_cddir
preinstallopts = local_cddir
builddependencies = [
('pkg-config', '0.29.2'),
]

dependencies = [
('libyaml', '0.2.5'),
('futile', '1.8.3')
('futile', '1.8.3'),
]

local_cddir = ' cd psolver-%(version_major_minor)s && '
preconfigopts = 'tar xzf psolver-%(version_major_minor)s.tar.gz &&' + local_cddir
preconfigopts += 'export FCFLAGS="$FCFLAGS -fallow-argument-mismatch" && '

configopts = '--enable-dynamic-libraries '
configopts += '--with-futile-incs=-I$EBROOTFUTILE/include '
configopts += '--with-ext-linalg="$LIBSCALAPACK" '

prebuildopts = local_cddir
preinstallopts = local_cddir

sanity_check_paths = {
'files': ['include/poisson_solver.mod'] +
[('lib/libPSolver-1.a', 'lib64/libPSolver-1.a')],
['lib/libPSolver-1.a', 'lib/libPSolver-1.%s' % SHLIB_EXT],
'dirs': []
}

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