Commit 24bfd69f authored by Lukáš Krupčík's avatar Lukáš Krupčík
Browse files

.add code.it4i.cz backup

parents
name = 'ABAQUS'
version = '6.12.1'
versionsuffix = '-linux-x86_64'
homepage = 'http://www.simulia.com/products/abaqus_fea.html'
description = "Finite Element Analysis software for modeling, visualization and best-in-class implicit and explicit dynamics FEA."
toolchain = {'name': 'dummy', 'version': ''}
sources = [SOURCE_TGZ]
builddependencies = [('Java', '1.7.0_60')]
preinstallopts = "export CHECK_DISK_SPACE=OFF && "
moduleclass = 'cae'
name = 'ABAQUS'
version = '6.13.5'
versionsuffix = '-linux-x86_64'
homepage = 'http://www.simulia.com/products/abaqus_fea.html'
description = "Finite Element Analysis software for modeling, visualization and best-in-class implicit and explicit dynamics FEA."
toolchain = {'name': 'dummy', 'version': ''}
sources = [SOURCE_TGZ]
builddependencies = [('Java', '1.7.0_60')]
preinstallopts = "export CHECK_DISK_SPACE=OFF && "
moduleclass = 'cae'
name = 'ABAQUS'
version = '6.14.1'
versionsuffix = '-linux-x86_64'
homepage = 'http://www.simulia.com/products/abaqus_fea.html'
description = "Finite Element Analysis software for modeling, visualization and best-in-class implicit and explicit dynamics FEA."
toolchain = {'name': 'dummy', 'version': ''}
sources = [SOURCE_TGZ]
builddependencies = [('Java', '1.7.0_60')]
preinstallopts = "export CHECK_DISK_SPACE=OFF && "
moduleclass = 'cae'
# ABINIT recipe
# 2015 Martin Stachon <martin.stachon@vsb.cz>
##
easyblock = "ConfigureMake"
name = 'ABINIT'
version = '7.10.1'
homepage = 'http://www.abinit.org/'
description = """Abinit is a plane wave pseudopotential code for doing
condensed phase electronic structure calculations using DFT."""
toolchain = {'name': 'foss', 'version': '2015b'}
# eg. http://ftp.abinit.org/abinit-7.10.1.tar.gz
sources = [('abinit-%s.tar.gz' % (version), 'tar xfz %s')]
source_urls = ['http://ftp.abinit.org/']
#sanity_check_paths = {
# 'files': ["bin/abinit"],
# 'dirs': []
# }
moduleclass = 'chem'
configopts = '''CC=mpicc CXX=mpicxx FC=mpif90 --enable-mpi --enable-mpi-io --enable-64bit-flags --enable-optim="yes" --enable-clib="yes"''' + \
''' --enable-gw-dpc="yes" --enable-memory-profiling="no" --enable-openmp="no" --enable-maintainer-checks="no"''' + \
''' --enable-debug="no" ''' + \
''' --with-trio-flavor="netcdf+etsf_io+fox" --with-dft-flavor="atompaw+bigdft+libxc+wannier90"'''
##
# ABINIT recipe
# 2015 Martin Stachon <martin.stachon@vsb.cz>
##
easyblock = "ConfigureMake"
name = 'ABINIT'
version = '7.10.1'
homepage = 'http://www.abinit.org/'
description = """Abinit is a plane wave pseudopotential code for doing
condensed phase electronic structure calculations using DFT."""
toolchain = {'name': 'goolf', 'version': '1.5.16'}
# eg. http://ftp.abinit.org/abinit-7.10.1.tar.gz
sources = [('abinit-%s.tar.gz' % (version), 'tar xfz %s')]
source_urls = ['http://ftp.abinit.org/']
#sanity_check_paths = {
# 'files': ["bin/abinit"],
# 'dirs': []
# }
moduleclass = 'chem'
configopts = '''CC=mpicc CXX=mpicxx FC=mpif90 --enable-mpi --enable-mpi-io --enable-64bit-flags --enable-optim="yes" --enable-clib="yes"''' + \
''' --enable-gw-dpc="yes" --enable-memory-profiling="no" --enable-openmp="no" --enable-maintainer-checks="no"''' + \
''' --enable-debug="no" ''' + \
''' --with-trio-flavor="netcdf+etsf_io+fox" --with-dft-flavor="atompaw+bigdft+libxc+wannier90"'''
easyblock = 'Tarball'
name = 'ADF'
version = '2014.02'
homepage = 'http://www.scm.com/ADF/'
description = """ADF is an accurate, parallelized, powerful computational chemistry program to understand and
predict chemical structure and reactivity with density functional theory (DFT)."""
toolchain = {'name': 'dummy', 'version': 'dummy'}
sources = ['%(namelower)s%(version)s.pc64_linux.IntelMPI+CUDA.tgz']
keepsymlinks = True
sanity_check_paths = {
'files': [],
'dirs': ['atomicdata', 'bin', 'examples'],
}
modextravars = {
'ADFHOME': '%(installdir)s',
'ADFBIN': '%(installdir)s/bin',
'ADFRESOURCES': '%(installdir)s/atomicdata',
}
modloadmsg = "These environment variables need to be defined before using ADF:\n"
modloadmsg += " * $SCMLICENSE: path to ADF license file\n"
modloadmsg += " * $SCM_TMPDIR: path to user scratch directory"
moduleclass = 'chem'
name = 'ADF'
version = '2014.11.r48287'
homepage = 'http://www.scm.com/ADF/'
description = """ADF is an accurate, parallelized, powerful computational chemistry program to understand and
predict chemical structure and reactivity with density functional theory (DFT)."""
toolchain = {'name': 'intel', 'version': '2016a'}
sources = [
'%(namelower)s%(version)s.src.tgz',
# no exact match on revision ID available, but not strictly needed
'fix2014.pc64_linux.intelmpi.r48660.2.555.bin.tgz',
]
license_file = HOME + "/licenses/ADF/license.txt"
modloadmsg = "These environment variables need to be defined before using ADF:\n"
modloadmsg += " * $SCMLICENSE: path to ADF license file\n"
modloadmsg += " * $SCM_TMPDIR: path to user scratch directory"
moduleclass = 'chem'
easyblock = 'Tarball'
name = 'ADF'
version = '2016.101'
homepage = 'http://www.scm.com/ADF/'
description = """ADF is an accurate, parallelized, powerful computational chemistry program to understand and
predict chemical structure and reactivity with density functional theory (DFT)."""
toolchain = {'name': 'dummy', 'version': 'dummy'}
sources = ['adf%(version)s.pc64_linux.intelmpi.tgz']
keepsymlinks = True
sanity_check_paths = {
'files': [],
'dirs': ['atomicdata', 'bin', 'examples'],
}
modextravars = {
'ADFHOME': '%(installdir)s',
'ADFBIN': '%(installdir)s/bin',
'ADFRESOURCES': '%(installdir)s/atomicdata',
}
modloadmsg = "These environment variables need to be defined before using ADF:\n"
modloadmsg += " * $SCMLICENSE: path to ADF license file\n"
modloadmsg += " * $SCM_TMPDIR: path to user scratch directory"
moduleclass = 'chem'
##
# This file is an EasyBuild reciPY as per https://github.com/hpcugent/easybuild
#
# Copyright:: Copyright 2012-2013 The Cyprus Institute
# Authors:: Andreas Panteli <a.panteli@cyi.ac.cy>, Thekla Loizou <t.loizou@cyi.ac.cy>, George Tsouloupas <g.tsouloupas@cyi.ac.cy>
# License:: MIT/GPL
#
##
easyblock = 'ConfigureMake'
name = 'ALLPATHS-LG'
version = '46968'
homepage = 'http://www.broadinstitute.org/software/allpaths-lg/blog/'
description = """ALLPATHS-LG, the new short read genome assembler."""
toolchain = {'name': 'goolf', 'version': '1.4.10'}
# source is moved over time, hence multiple URLs below
source_urls = [
'ftp://ftp.broadinstitute.org/pub/crd/ALLPATHS/Release-LG/latest_source_code',
'ftp://ftp.broadinstitute.org/pub/crd/ALLPATHS/Release-LG/latest_source_code/2013-06',
'ftp://ftp.broadinstitute.org/pub/crd/ALLPATHS/Release-LG/latest_source_code/2013/2013-06',
]
sources = ['allpathslg-%(version)s.tar.gz']
sanity_check_paths = {
'files': [],
'dirs': ['bin'],
}
moduleclass = 'bio'
easyblock = 'CMakeMake'
name = 'ALPS'
version = '2.3.0'
versionsuffix = '-Python-%(pyver)s'
homepage = "http://alps.comp-phys.org/"
description = """The ALPS project (Algorithms and Libraries for Physics Simulations) is an open source effort
aiming at providing high-end simulation codes for strongly correlated quantum mechanical systems as well as
C++ libraries for simplifying the development of such code.
"""
toolchain = {'name': 'foss', 'version': '2016b'}
toolchainopts = {'cstd': 'c++03'}
sources = ['%(namelower)s-%(version)s-src.tar.gz']
source_urls = ['http://alps.comp-phys.org/static/software/releases/']
dependencies = [
('CMake', '3.6.2'),
('Python', '2.7.12'),
('Boost', '1.63.0', versionsuffix),
('HDF5', '1.8.17')
]
separate_build_dir = True
modextravars = {
'ALPS_ROOT': '$root',
}
modextrapaths = {
'PYTHONPATH': ['lib/']
}
sanity_check_paths={
'files': ['lib/libalps.%s' % SHLIB_EXT],
'dirs': ['include/alps', 'bin/', 'share/'],
}
moduleclass = 'phys'
easyblock = 'CMakeMake'
name = 'ALPS'
version = '2.3.0'
versionsuffix = '-Python-%(pyver)s'
homepage = "http://alps.comp-phys.org/"
description = """The ALPS project (Algorithms and Libraries for Physics Simulations) is an open source effort
aiming at providing high-end simulation codes for strongly correlated quantum mechanical systems as well as
C++ libraries for simplifying the development of such code.
"""
toolchain = {'name': 'foss', 'version': '2016b'}
toolchainopts = {'cstd': 'c++03'}
sources = ['%(namelower)s-%(version)s-src.tar.gz']
source_urls = ['http://alps.comp-phys.org/static/software/releases/']
dependencies = [
('CMake', '3.6.2'),
('Python', '3.5.2'),
('Boost', '1.63.0', versionsuffix),
('HDF5', '1.8.17')
]
separate_build_dir = True
modextravars = {
'ALPS_ROOT': '$root',
}
modextrapaths = {
'PYTHONPATH': ['lib/']
}
sanity_check_paths={
'files': ['lib/libalps.%s' % SHLIB_EXT],
'dirs': ['include/alps', 'bin/', 'share/'],
}
moduleclass = 'phys'
name = 'ANSYS'
version = '18.0'
homepage = 'http://www.ansys.com'
description = """ANSYS simulation software enables organizations to confidently predict
how their products will operate in the real world. We believe that every product is
a promise of something greater. """
toolchain = {'name': 'dummy', 'version': 'dummy'}
# create a zip file from the 3 install iso files.
# make sure all files of the iso's are in the same directory.
sources = ['ANSYS-18.0.zip']
import os
license_server = os.getenv('EB_ANSYS_LICENSE_SERVER', 'license.it4i.cz')
license_server_port = os.getenv('EB_ANSYS_LICENSE_SERVER_PORT', '2325:1055')
moduleclass = 'tools'
# This file is an EasyBuild reciPY as per https://github.com/hpcugent/easybuild
# Author: Ravi Tripathi
# Email: ravi89@uab.edu
easyblock = "Tarball"
name = 'ASHS'
version = 'rev103_20140612'
homepage = 'https://sites.google.com/site/hipposubfields/home'
description = """ Automatic Segmentation of Hippocampal Subfields (ASHS) """
toolchain = {'name': 'dummy', 'version': 'dummy'}
#You need to create an account to download the source
#from https://www.nitrc.org/frs/?group_id=370
sources = ['ashs_Linux64_%(version)s.tgz']
checksums= ["07fea2883b856af8797b200212b72e71"]
modextravars = {'ASHS_ROOT': '%(installdir)s'}
sanity_check_paths = {
'files': ["bin/ashs_main.sh", "bin/ashs_template_qsub.sh", "bin/ashs_train.sh",
"bin/ashs_util_makepdf.sh"],
'dirs': ["ext"]
}
moduleclass = 'bio'
name = 'Advisor'
version = '2016_update2'
homepage = 'https://software.intel.com/intel-advisor-xe'
description = """Vectorization Optimization and Thread Prototyping
- Vectorize & thread code or performance “dies”
- Easy workflow + data + tips = faster code faster
- Prioritize, Prototype & Predict performance gain
"""
toolchain = {'name': 'dummy', 'version': 'dummy'}
sources = ['advisor_xe_%(version)s.tar.gz']
dontcreateinstalldir = 'True'
# license file
import os
license_file = os.path.join(os.getenv('HOME'), "licenses", "intel", "license.lic")
moduleclass = 'perf'
name = 'Advisor'
version = '2017_update1'
homepage = 'https://software.intel.com/intel-advisor-xe'
description = """Vectorization Optimization and Thread Prototyping
- Vectorize & thread code or performance “dies”
- Easy workflow + data + tips = faster code faster
- Prioritize, Prototype & Predict performance gain
"""
toolchain = {'name': 'dummy', 'version': 'dummy'}
sources = ['advisor_%(version)s.tar.gz']
checksums = ['af87b381394be3100507827a3461b3bc']
dontcreateinstalldir = 'True'
# license file
import os
license_file = os.path.join(os.getenv('HOME'), "licenses", "intel", "license.lic")
moduleclass = 'perf'
name = 'Allinea'
version = '4.1-32834-Redhat-5.7-x86_64'
homepage = 'http://www.allinea.com'
description = """The Allinea environment is an essential toolkit for developers and computational scientists
looking to get results faster."""
toolchain = {'name': 'dummy', 'version': 'dummy'}
source_urls = ['http://content.allinea.com/downloads/']
sources = ['%(namelower)s-tools-%(version)s.tar']
# license file
import os
license_file = os.path.join(os.getenv('HOME'), "licenses", "allinea", "license.lic")
moduleclass = 'tools'
name = 'Allinea'
version = '4.1-32834-Redhat-6.0-x86_64'
homepage = 'http://www.allinea.com'
description = """The Allinea environment is an essential toolkit for developers and computational scientists
looking to get results faster."""
toolchain = {'name': 'dummy', 'version': 'dummy'}
source_urls = ['http://content.allinea.com/downloads/']
sources = ['%(namelower)s-tools-%(version)s.tar']
# license file
import os
license_file = os.path.join(os.getenv('HOME'), "licenses", "allinea", "license.lic")
moduleclass = 'tools'
name = 'Allinea'
version = '6.1.1-Ubuntu-14.04-x86_64'
homepage = 'http://www.allinea.com'
description = """The Allinea environment is an essential toolkit for developers and computational scientists
looking to get results faster."""
toolchain = {'name': 'dummy', 'version': 'dummy'}
source_urls = ['http://content.allinea.com/downloads/']
sources = ['%(namelower)s-forge-%(version)s.tar']
# Example of templates usage
#templates = [
# 'kebnekaise.qtf',
# 'kebnekaise-gpu.qtf',
#]
# Example of sysconfig usage
#sysconfig = 'system.config.hpc2n'
# license file
license_file = HOME + '/licenses/allinea/license.lic'
moduleclass = 'tools'
name = 'Amber'
version = '16'
ambertools_ver = '16'
# Patch levels from http://ambermd.org/bugfixes16.html and http://ambermd.org/bugfixesat.html
patchlevels = (5, 14) # (AmberTools, Amber)
versionsuffix = '-AmberTools-%s-patchlevel-%s-%s-serial' %(ambertools_ver, patchlevels[0], patchlevels[1])
homepage = 'http://ambermd.org/amber.html'
description = """Amber (originally Assisted Model Building with Energy
Refinement) is software for performing molecular dynamics and structure
prediction."""
toolchain = {'name': 'iomkl', 'version': '2016.07'}
toolchainopts = {'usempi': False}
sources = [
'Amber%(version)s.tar.bz2',
'AmberTools%s.tar.bz2' % ambertools_ver,
]
patches = ['Amber-%(version)s_fix-hardcoding.patch']
dependencies = [
('netCDF', '4.4.0'),
('netCDF-Fortran', '4.4.4'),
('Python', '2.7.11'),
]
moduleclass = 'chem'
name = 'Amber'
version = '16'
ambertools_ver = '16'
# Patch levels from http://ambermd.org/bugfixes16.html and http://ambermd.org/bugfixesat.html
patchlevels = (5, 14) # (AmberTools, Amber)
versionsuffix = '-AmberTools-%s-patchlevel-%s-%s' %(ambertools_ver, patchlevels[0], patchlevels[1])
homepage = 'http://ambermd.org/amber.html'
description = """Amber (originally Assisted Model Building with Energy
Refinement) is software for performing molecular dynamics and structure
prediction."""
toolchain = {'name': 'iomkl', 'version': '2016.07'}
toolchainopts = {'usempi': True}
sources = [
'Amber%(version)s.tar.bz2',
'AmberTools%s.tar.bz2' % ambertools_ver,
]
patches = ['Amber-%(version)s_fix-hardcoding.patch']
dependencies = [
('netCDF', '4.4.0'),
('netCDF-Fortran', '4.4.4'),
('Python', '2.7.11'),
]
moduleclass = 'chem'
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