modified: o/OVITO/OVITO-3.9.2-gompi-2022b-basic.eb

modified:   o/OpenMPI/OpenMPI-4.1.4-GCC-11.3.0.eb
	new file:   o/OpenMPI/OpenMPI-4.1.5-GCC-12.3.0.eb
	new file:   q/Qt6/Qt6-6.6.0-GCCcore-12.2.0.eb
This commit is contained in:
Lukas Krupcik 2023-11-03 11:15:13 +01:00
parent ad2b1441bb
commit 663987ef3b
4 changed files with 187 additions and 1 deletions

View File

@ -22,7 +22,7 @@ builddependencies = [
]
dependencies = [
('Qt6', '6.5.3'),
('Qt6', '6.6.0'),
# ('Qt5', '5.15.7'),
('HDF5', '1.14.0'),
('netCDF', '4.9.0'),

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@ -41,6 +41,7 @@ configopts += '--with-hwloc=$EBROOTHWLOC ' # hwloc support
configopts += '--with-slurm ' # Enable slurm
configopts += '--enable-mpi-cxx ' # Enable building the C++ MPI bindings
configopts += '--with-ucx=$EBROOTUCX '
configopts += '--with-pmix=$EBROOTPMIX '
osdependencies = [('libibverbs-dev', 'libibverbs-devel', 'rdma-core-devel')]

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@ -0,0 +1,86 @@
# IT4Innovations
# LK 2023
name = 'OpenMPI'
version = '4.1.5'
homepage = 'https://www.open-mpi.org/'
description = """The Open MPI Project is an open source MPI-3 implementation."""
toolchain = {'name': 'GCC', 'version': '12.3.0'}
source_urls = ['https://www.open-mpi.org/software/ompi/v%(version_major_minor)s/downloads']
sources = [SOURCELOWER_TAR_BZ2]
patches = [
'OpenMPI-4.1.1_build-with-internal-cuda-header.patch',
'OpenMPI-4.1.1_opal-datatype-cuda-performance.patch',
'OpenMPI-4.1.5_fix-pmix3x.patch',
]
checksums = [
{'openmpi-4.1.5.tar.bz2': 'a640986bc257389dd379886fdae6264c8cfa56bc98b71ce3ae3dfbd8ce61dbe3'},
{'OpenMPI-4.1.1_build-with-internal-cuda-header.patch':
'63eac52736bdf7644c480362440a7f1f0ae7c7cae47b7565f5635c41793f8c83'},
{'OpenMPI-4.1.1_opal-datatype-cuda-performance.patch':
'b767c7166cf0b32906132d58de5439c735193c9fd09ec3c5c11db8d5fa68750e'},
{'OpenMPI-4.1.5_fix-pmix3x.patch':
'46edac3dbf32f2a611d45e8a3c8edd3ae2f430eec16a1373b510315272115c40'},
]
builddependencies = [
('pkgconf', '1.9.5'),
('Perl', '5.36.1'),
('Autotools', '20220317'),
]
dependencies = [
('zlib', '1.2.13'),
('hwloc', '2.9.1'),
('libevent', '2.1.12'),
('UCX', '1.14.1'),
('libfabric', '1.18.0'),
('PMIx', '4.2.4'),
('UCC', '1.2.0'),
]
# Update configure to include changes from the "internal-cuda" patch
# by running a subset of autogen.pl sufficient to achieve this
# without doing the full, long-running regeneration.
preconfigopts = ' && '.join([
'cd config',
'autom4te --language=m4sh opal_get_version.m4sh -o opal_get_version.sh',
'cd ..',
'autoconf',
'autoheader',
'aclocal',
'automake',
''
])
# CUDA related patches and custom configure option can be removed if CUDA support isn't wanted.
configopts = '--with-cuda=internal '
configopts += '--enable-shared --enable-mpi-thread-multiple --with-verbs '
configopts += '--enable-mpirun-prefix-by-default '
configopts += '--with-hwloc=$EBROOTHWLOC ' # hwloc support
configopts += '--with-slurm ' # Enable slurm
configopts += '--enable-mpi-cxx ' # Enable building the C++ MPI bindings
configopts += '--with-ucx=$EBROOTUCX '
import os
if os.environ.get("CLUSTERNAME") in ["BARBORA"]:
modextravars = {'OMPI_MCA_btl_openib_if_include': 'mlx5_0',
'OMPI_MCA_btl_tcp_if_include': '10.33.4.0/24',
'OMPI_MCA_orte_base_help_aggregate': '0',
'SLURM_MPI_TYPE': 'pmix_v4',
}
elif os.environ.get("CLUSTERNAME") in ["KAROLINA"]:
modextravars = {'OMPI_MCA_btl_openib_if_include': 'mlx5_0',
'OMPI_MCA_orte_base_help_aggregate': '0',
'SLURM_MPI_TYPE': 'pmix_v4',
}
else:
modextravars = {'OMPI_MCA_btl_openib_if_include': 'mlx4_0',
'OMPI_MCA_oob_tcp_if_include': '10.0.0.0/8',
'SLURM_MPI_TYPE': 'pmix_v4',
}
moduleclass = 'mpi'

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@ -0,0 +1,99 @@
# IT4Innovations
# LK 2023
easyblock = 'CMakeNinja'
name = 'Qt6'
version = '6.6.0'
homepage = 'https://qt.io/'
description = "Qt is a comprehensive cross-platform C++ application framework."
toolchain = {'name': 'GCCcore', 'version': '12.2.0'}
# AMD/intel cpu
import os
if os.environ.get("CLUSTERNAME") in ["KAROLINA"]:
toolchainopts = {'lowopt': True, 'optarch': 'march=core-avx2'}
else:
toolchainopts = {'lowopt': True, 'optarch': False}
# disabling use of -ftree-vectorize is required to avoid compilation failures on some systems (e.g. Intel Skylake X)
#toolchainopts = {'vectorize': False}
source_urls = [
'https://download.qt.io/official_releases/qt/%(version_major_minor)s/%(version)s/single/',
'https://download.qt.io/archive/qt/%(version_major_minor)s/%(version)s/single/',
'https://download.qt.io/new_archive/qt/%(version_major_minor)s/%(version)s/single/',
]
sources = ['qt-everywhere-src-%(version)s.tar.xz']
#patches = [
# 'Qt6-6.5.2_fix_OF-Gentoo.patch',
#]
checksums = [
{'qt-everywhere-src-6.6.0.tar.xz': '652538fcb5d175d8f8176c84c847b79177c87847b7273dccaec1897d80b50002'},
# {'Qt6-6.5.2_fix_OF-Gentoo.patch': '62c4b1abdeac69f40fd48f5e46f470f9f9c328fdb02ab8aceb9aa1885ad8c601'},
]
builddependencies = [
('binutils', '2.39'),
('pkgconf', '1.9.3'),
('CMake', '3.24.3'),
('Ninja', '1.11.1'),
# deps for QtWebEngine
('Bison', '3.8.2'),
('flex', '2.6.4'),
('gperf', '3.1'),
('re2c', '3.0'),
]
dependencies = [
('double-conversion', '3.2.1'),
('GLib', '2.75.0'),
('PCRE2', '10.40'),
('libpng', '1.6.38'),
('LibTIFF', '4.4.0'),
('libwebp', '1.3.1'),
('JasPer', '4.0.0'),
('HarfBuzz', '5.3.1'),
('SQLite', '3.39.4'),
('graphite2', '1.3.14'),
# ('assimp', '5.2.5'), # for Qt 3D
('FFmpeg', '5.1.2'),
('X11', '20221110'),
('fontconfig', '2.14.1'),
('zlib', '1.2.12'),
('Python', '3.10.8'),
# ('Python-bundle-PyPI', '2023.06'), # WebEngine
# ('freetype', '2.12.1'), # WebEngine
('DBus', '1.15.2'),
# ('libevent', '2.1.12'), # WebEngine
('libGLU', '9.0.2'),
# ('libjpeg-turbo', '2.1.4'), # WebEngine
# ('NSS', '3.85'), # WebEngine, required
# ('snappy', '1.1.9'), # WebEngine
('OpenSSL', '1.1', '', SYSTEM),
# ('ICU', '72.1'), # WebEngine, optional
# ('nodejs', '18.12.1'), # WebEngine, required
# ('gRPC', '1.52.2'), # WebEngine needs older Abseil/gRPC/protobuf
]
preconfigopts = 'sed -i "s/MultiMedia/Multimedia/g" ../qt-everywhere-src-%(version)s/qtcharts/CMakeLists.txt &&' # Typo
preconfigopts += 'sed -i "23i set(Python3_ROOT_DIR \\$ENV{EBROOTPYTHON})" ' \
'../qt-everywhere-src-6.6.0/qtwebengine/src/gn/CMakeLists.txt &&'
configopts = '-Wno-dev '
configopts += '-DFEATURE_qtpdf_build=OFF ' # Requires CUPS
configopts += '-DQT_AVOID_CMAKE_ARCHIVING_API=ON '
configopts += '-DPython3_ROOT_DIR=$EBROOTPYTHON '
#configopts += '-DBUILD_qtwayland=OFF ' # Does not work on CentOS 7
# Removed from Qt6.0.0 but may be added back in the future
# configopts += '-DBUILD_qtgamepad=OFF ' # Does not work on CentOS 7
sanity_check_paths = {
'files': ['bin/qmake6', 'lib/libQt6Core.%s' % SHLIB_EXT ],
'dirs': ['include/QtCore' ],
}
sanity_check_commands = ['qmake6 --help']
moduleclass = 'devel'