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Merge pull request #1801 from hpcugent/develop
release EasyBuild v2.2.0
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33 changes: 33 additions & 0 deletions
33
easybuild/easyconfigs/a/ABINIT/ABINIT-7.10.4-intel-2015a.eb
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| easyblock = 'ConfigureMake' | ||
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| name = 'ABINIT' | ||
| version = '7.10.4' | ||
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| homepage = 'http://www.abinit.org/' | ||
| description = """ABINIT is a package whose main program allows one to find the total energy, charge density and | ||
| electronic structure of systems made of electrons and nuclei (molecules and periodic solids) within Density Functional | ||
| Theory (DFT), using pseudopotentials and a planewave or wavelet basis.""" | ||
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| toolchain = {'name': 'intel', 'version': '2015a'} | ||
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| source_urls = ['http://ftp.abinit.org/'] | ||
| sources = [SOURCELOWER_TAR_GZ] | ||
| checksums = ['bfc76a5f93c3f148c049f57541864e76'] | ||
|
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| configopts = "--with-mpi-prefix=$EBROOTIMPI/intel64 --with-trio-flavor='etsf_io+netcdf' --with-dft=flavor='libxc' " | ||
| configopts += '--with-netcdf-incs="-I$EBROOTNETCDF/include -I$EBROOTNETCDFMINFORTRAN/include" ' | ||
| configopts += '--with-netcdf-libs="-L$EBROOTNETCDF/lib -lnetcdf -L$EBROOTNETCDFMINFORTRAN/lib -lnetcdff" ' | ||
| configopts += '--with-libxc-incs="-I$EBROOTLIBXC/include" --with-libxc-libs="-L$EBROOTLIBXC/lib -lxc" ' | ||
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| dependencies = [ | ||
| ('libxc', '2.2.2'), | ||
| ('netCDF', '4.3.2'), | ||
| ('netCDF-Fortran', '4.4.0'), | ||
| ] | ||
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| sanity_check_paths = { | ||
| 'files': ['bin/%s' % x for x in ['abinit', 'aim', 'cut3d', 'conducti', 'mrgddb', 'mrgscr', 'optic']], | ||
| 'dirs': ['lib/pkgconfig'], | ||
| } | ||
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| moduleclass = 'chem' |
33 changes: 33 additions & 0 deletions
33
easybuild/easyconfigs/a/ABINIT/ABINIT-7.11.6-intel-2015a.eb
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| Original file line number | Diff line number | Diff line change |
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| @@ -0,0 +1,33 @@ | ||
| easyblock = 'ConfigureMake' | ||
|
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| name = 'ABINIT' | ||
| version = '7.11.6' | ||
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| homepage = 'http://www.abinit.org/' | ||
| description = """ABINIT is a package whose main program allows one to find the total energy, charge density and | ||
| electronic structure of systems made of electrons and nuclei (molecules and periodic solids) within Density Functional | ||
| Theory (DFT), using pseudopotentials and a planewave or wavelet basis.""" | ||
|
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| toolchain = {'name': 'intel', 'version': '2015a'} | ||
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| source_urls = ['http://ftp.abinit.org/'] | ||
| sources = [SOURCELOWER_TAR_GZ] | ||
| checksums = ['c8b166ec8e65ad1d795d42b889fd772b'] | ||
|
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| configopts = "--with-mpi-prefix=$EBROOTIMPI/intel64 --with-trio-flavor='etsf_io+netcdf' --with-dft=flavor='libxc' " | ||
| configopts += '--with-netcdf-incs="-I$EBROOTNETCDF/include -I$EBROOTNETCDFMINFORTRAN/include" ' | ||
| configopts += '--with-netcdf-libs="-L$EBROOTNETCDF/lib -lnetcdf -L$EBROOTNETCDFMINFORTRAN/lib -lnetcdff" ' | ||
| configopts += '--with-libxc-incs="-I$EBROOTLIBXC/include" --with-libxc-libs="-L$EBROOTLIBXC/lib -lxc" ' | ||
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| dependencies = [ | ||
| ('libxc', '2.2.2'), | ||
| ('netCDF', '4.3.2'), | ||
| ('netCDF-Fortran', '4.4.0'), | ||
| ] | ||
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| sanity_check_paths = { | ||
| 'files': ['bin/%s' % x for x in ['abinit', 'aim', 'cut3d', 'conducti', 'mrgddb', 'mrgscr', 'optic']], | ||
| 'dirs': ['lib/pkgconfig'], | ||
| } | ||
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| moduleclass = 'chem' |
40 changes: 40 additions & 0 deletions
40
easybuild/easyconfigs/a/ABINIT/ABINIT-7.4.3-goolf-1.4.10-ETSF_IO-1.0.4.eb
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| @@ -0,0 +1,40 @@ | ||
| ## | ||
| # This file is an EasyBuild reciPY as per https://github.com/hpcugent/easybuild | ||
| # | ||
| # Copyright:: Copyright 2013-2014 The Cyprus Institute | ||
| # Authors:: Thekla Loizou <t.loizou@cyi.ac.cy> | ||
| # License:: MIT/GPL | ||
| # | ||
| ## | ||
| easyblock = "ConfigureMake" | ||
|
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| name = 'ABINIT' | ||
| version = '7.4.3' | ||
| versionsuffix = '-ETSF_IO-1.0.4' | ||
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| homepage = 'http://www.abinit.org/' | ||
| description = """Abinit is a plane wave pseudopotential code for doing | ||
| condensed phase electronic structure calculations using DFT.""" | ||
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| toolchain = {'name': 'goolf', 'version': '1.4.10'} | ||
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| source_urls = ['http://ftp.abinit.org/'] | ||
| sources = [SOURCELOWER_TAR_GZ] | ||
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| configopts = '--enable-mpi --enable-mpi-io --with-mpi-prefix=$EBROOTOPENMPI --enable-fallbacks ' | ||
| configopts += '--with-netcdf-incs="-I$EBROOTNETCDF/include" ' | ||
| configopts += '--with-netcdf-libs="-L$EBROOTNETCDF/lib -lnetcdf -lnetcdff" ' | ||
| configopts += '--with-fft-libs="-L$EBROOTFFTW/lib -lfftw3 -lfftw3f" --with-fft-flavor=fftw3 ' | ||
| configopts += '--with-trio-flavor="netcdf+etsf_io" --enable-gw-dpc' | ||
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| dependencies = [ | ||
| ('netCDF', '4.1.3'), | ||
| ('ETSF_IO', '1.0.4'), | ||
| ] | ||
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| sanity_check_paths = { | ||
| 'files': ["bin/abinit"], | ||
| 'dirs': [] | ||
| } | ||
|
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| moduleclass = 'chem' |
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| ## | ||
| # This file is an EasyBuild reciPY as per https://github.com/hpcugent/easybuild | ||
| # | ||
| # Copyright:: Copyright 2012-2014 Uni.Lu/LCSB, NTUA | ||
| # Authors:: Maxime Schmitt <maxime.schmitt@telecom-bretagne.eu>, Fotis Georgatos <fotis@cern.ch> | ||
| # License:: MIT/GPL | ||
| # $Id$ | ||
| # | ||
| ## | ||
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| easyblock = 'ConfigureMake' | ||
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| name = 'ABySS' | ||
| version = '1.5.2' | ||
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| homepage = 'http://www.bcgsc.ca/platform/bioinfo/software/abyss' | ||
| description = """Assembly By Short Sequences - a de novo, parallel, paired-end sequence assembler""" | ||
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| toolchain = {'name': 'goolf', 'version': '1.4.10'} | ||
| toolchainopts = {'usempi': True} | ||
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| sources = [SOURCELOWER_TAR_GZ] | ||
| source_urls = ['https://github.com/bcgsc/abyss/releases/download/%(version)s/'] | ||
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| dependencies = [('Boost', '1.53.0')] | ||
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| sanity_check_paths = { | ||
| 'files': ["bin/ABYSS", "bin/ABYSS-P"], | ||
| 'dirs': [] | ||
| } | ||
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| moduleclass = 'bio' |
20 changes: 20 additions & 0 deletions
20
easybuild/easyconfigs/a/ADF/ADF-2009.01a.pc64_linux.intelmpi.eb
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| Original file line number | Diff line number | Diff line change |
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| easyblock = 'Tarball' | ||
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| name = "ADF" | ||
| version = '2009.01a.pc64_linux.intelmpi' | ||
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| homepage = 'http://www.scm.com/' | ||
| description = "ADF is a premium-quality quantum chemistry software package based on Density Functional Theory (DFT)." | ||
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| toolchain = {'name': 'dummy', 'version': 'dummy'} | ||
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| sources = ['%(namelower)s%(version)s.bin.tgz'] | ||
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| dependencies = [('impi', '3.2.2.006')] | ||
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| sanity_check_paths = { | ||
| 'files': ['bin/adf', 'bin/adf.exe'], | ||
| 'dirs': [], | ||
| } | ||
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| moduleclass = 'chem' |
25 changes: 25 additions & 0 deletions
25
easybuild/easyconfigs/a/AutoDock_Vina/AutoDock_Vina-1.1.2_linux_x86.eb
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| Original file line number | Diff line number | Diff line change |
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| @@ -0,0 +1,25 @@ | ||
| # This file is an EasyBuild reciPY as per https://github.com/hpcugent/easybuild | ||
| # Author: Pablo Escobar Lopez | ||
| # Swiss Institute of Bioinformatics | ||
| # Biozentrum - University of Basel | ||
|
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| easyblock = "Tarball" | ||
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| name = 'AutoDock_Vina' | ||
| version = '1.1.2' | ||
| versionsuffix = '_linux_x86' | ||
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| homepage = 'http://vina.scripps.edu/index.html' | ||
| description = """ AutoDock Vina is an open-source program for doing molecular docking. """ | ||
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| toolchain = {'name': 'dummy', 'version': 'dummy'} | ||
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| source_urls = ['http://vina.scripps.edu/download/'] | ||
| sources = ['%s_%s%s.tgz' % (name.lower(), version.replace('.','_'), versionsuffix)] | ||
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| sanity_check_paths = { | ||
| 'files': ["bin/vina_split", "bin/vina"], | ||
| 'dirs': [] | ||
| } | ||
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| moduleclass = 'bio' |
26 changes: 26 additions & 0 deletions
26
easybuild/easyconfigs/a/Autoconf/Autoconf-2.69-GNU-4.9.2-2.25.eb
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| Original file line number | Diff line number | Diff line change |
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| @@ -0,0 +1,26 @@ | ||
| easyblock = 'ConfigureMake' | ||
|
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| name = 'Autoconf' | ||
| version = '2.69' | ||
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| homepage = 'http://www.gnu.org/software/autoconf/' | ||
| description = """Autoconf is an extensible package of M4 macros that produce shell scripts | ||
| to automatically configure software source code packages. These scripts can adapt the | ||
| packages to many kinds of UNIX-like systems without manual user intervention. Autoconf | ||
| creates a configuration script for a package from a template file that lists the | ||
| operating system features that the package can use, in the form of M4 macro calls.""" | ||
|
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| toolchain = {'name': 'GNU', 'version': '4.9.2-2.25'} | ||
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| source_urls = [GNU_SOURCE] | ||
| sources = [SOURCELOWER_TAR_GZ] | ||
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| dependencies = [('M4', '1.4.17')] | ||
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| sanity_check_paths = { | ||
| 'files': ["bin/%s" % x for x in ["autoconf", "autoheader", "autom4te", "autoreconf", "autoscan", | ||
| "autoupdate", "ifnames"]], | ||
| 'dirs': [], | ||
| } | ||
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| moduleclass = 'devel' |
26 changes: 26 additions & 0 deletions
26
easybuild/easyconfigs/a/Autoconf/Autoconf-2.69-GNU-5.1.0-2.25.eb
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| Original file line number | Diff line number | Diff line change |
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| @@ -0,0 +1,26 @@ | ||
| easyblock = 'ConfigureMake' | ||
|
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| name = 'Autoconf' | ||
| version = '2.69' | ||
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| homepage = 'http://www.gnu.org/software/autoconf/' | ||
| description = """Autoconf is an extensible package of M4 macros that produce shell scripts | ||
| to automatically configure software source code packages. These scripts can adapt the | ||
| packages to many kinds of UNIX-like systems without manual user intervention. Autoconf | ||
| creates a configuration script for a package from a template file that lists the | ||
| operating system features that the package can use, in the form of M4 macro calls.""" | ||
|
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| toolchain = {'name': 'GNU', 'version': '5.1.0-2.25'} | ||
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| source_urls = [GNU_SOURCE] | ||
| sources = [SOURCELOWER_TAR_GZ] | ||
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| dependencies = [('M4', '1.4.17')] | ||
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| sanity_check_paths = { | ||
| 'files': ["bin/%s" % x for x in ["autoconf", "autoheader", "autom4te", "autoreconf", "autoscan", | ||
| "autoupdate", "ifnames"]], | ||
| 'dirs': [], | ||
| } | ||
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| moduleclass = 'devel' |
33 changes: 33 additions & 0 deletions
33
easybuild/easyconfigs/a/Automake/Automake-1.15-GNU-4.9.2-2.25.eb
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,33 @@ | ||
| ## | ||
| # This file is an EasyBuild reciPY as per https://github.com/hpcugent/easybuild | ||
| # | ||
| # Copyright:: Copyright 2012-2014 Uni.Lu/LCSB, NTUA | ||
| # Authors:: Fotis Georgatos <fotis@cern.ch> | ||
| # License:: MIT/GPL | ||
| # $Id$ | ||
| # | ||
| # This work implements a part of the HPCBIOS project and is a component of the policy: | ||
| # http://hpcbios.readthedocs.org/en/latest/ | ||
| ## | ||
|
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| easyblock = 'ConfigureMake' | ||
|
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| name = 'Automake' | ||
| version = "1.15" | ||
|
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| homepage = 'http://www.gnu.org/software/automake/automake.html' | ||
| description = "Automake: GNU Standards-compliant Makefile generator" | ||
|
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| toolchain = {'name': 'GNU', 'version': '4.9.2-2.25'} | ||
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| source_urls = [GNU_SOURCE] | ||
| sources = [SOURCELOWER_TAR_GZ] | ||
|
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| dependencies = [('Autoconf', '2.69')] | ||
|
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| sanity_check_paths = { | ||
| 'files': ['bin/automake', 'bin/aclocal'], | ||
| 'dirs': [] | ||
| } | ||
|
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| moduleclass = 'devel' |
33 changes: 33 additions & 0 deletions
33
easybuild/easyconfigs/a/Automake/Automake-1.15-GNU-5.1.0-2.25.eb
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,33 @@ | ||
| ## | ||
| # This file is an EasyBuild reciPY as per https://github.com/hpcugent/easybuild | ||
| # | ||
| # Copyright:: Copyright 2012-2014 Uni.Lu/LCSB, NTUA | ||
| # Authors:: Fotis Georgatos <fotis@cern.ch> | ||
| # License:: MIT/GPL | ||
| # $Id$ | ||
| # | ||
| # This work implements a part of the HPCBIOS project and is a component of the policy: | ||
| # http://hpcbios.readthedocs.org/en/latest/ | ||
| ## | ||
|
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| easyblock = 'ConfigureMake' | ||
|
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| name = 'Automake' | ||
| version = "1.15" | ||
|
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| homepage = 'http://www.gnu.org/software/automake/automake.html' | ||
| description = "Automake: GNU Standards-compliant Makefile generator" | ||
|
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| toolchain = {'name': 'GNU', 'version': '5.1.0-2.25'} | ||
|
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| source_urls = [GNU_SOURCE] | ||
| sources = [SOURCELOWER_TAR_GZ] | ||
|
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| dependencies = [('Autoconf', '2.69')] | ||
|
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| sanity_check_paths = { | ||
| 'files': ['bin/automake', 'bin/aclocal'], | ||
| 'dirs': [] | ||
| } | ||
|
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| moduleclass = 'devel' |
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