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https://code.it4i.cz/sccs/easyconfigs-it4i.git
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Merge branch 'it4i-salomon'
Former-commit-id: 860f47a965b7792d3c156e8c7771c30017e74ba6
This commit is contained in:
Lukáš Krupčík
commit
84baa466e1
31
a/Amber/Amber-18-iomkl-2017b-AmberTools-18-serial.eb
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31
a/Amber/Amber-18-iomkl-2017b-AmberTools-18-serial.eb
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# IT4Innovations 2018
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name = 'Amber'
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version = '18'
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ambertools_ver = '18'
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# Patch levels from http://ambermd.org/bugfixes16.html and http://ambermd.org/bugfixesat.html
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#patchlevels = (5, 14) # (AmberTools, Amber)
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versionsuffix = '-AmberTools-%s-serial' %(ambertools_ver)
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homepage = 'http://ambermd.org/amber.html'
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description = """Amber (originally Assisted Model Building with Energy
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Refinement) is software for performing molecular dynamics and structure
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prediction."""
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toolchain = {'name': 'iomkl', 'version': '2017b'}
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toolchainopts = {'usempi': False}
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sources = [
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'Amber%(version)s.tar.bz2',
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'AmberTools%s.tar.bz2' % ambertools_ver,
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]
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#patches = ['Amber-%(version)s_fix-hardcoding.patch']
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dependencies = [
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('netCDF', '4.6.1'),
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('netCDF-Fortran', '4.4.4'),
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('Py', '2.7', '', True),
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]
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moduleclass = 'chem'
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24
h/HDF5/HDF5-1.10.1-iomkl-2017b.eb
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24
h/HDF5/HDF5-1.10.1-iomkl-2017b.eb
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# IT4Innovations 2018
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name = 'HDF5'
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version = '1.10.1'
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homepage = 'http://www.hdfgroup.org/HDF5/'
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description = """HDF5 is a unique technology suite that makes possible the management of
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extremely large and complex data collections."""
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toolchain = {'name': 'iomkl', 'version': '2017b'}
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toolchainopts = {'pic': True, 'usempi': False}
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source_urls = ['https://support.hdfgroup.org/ftp/HDF5/releases/hdf5-%(version_major_minor)s/hdf5-%(version)s/src']
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sources = [SOURCELOWER_TAR_GZ]
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buildopts = 'CXXFLAGS="$CXXFLAGS -DMPICH_IGNORE_CXX_SEEK"'
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dependencies = [
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('zlib', '1.2.11', '', True),
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('Szip', '2.1', '', True),
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]
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moduleclass = 'data'
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37
i/imkl/imkl-2017.4.239-iompi-2017b.eb
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37
i/imkl/imkl-2017.4.239-iompi-2017b.eb
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# IT4Innovations 2018
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name = 'imkl'
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version = '2017.4.239'
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homepage = 'http://software.intel.com/en-us/intel-mkl/'
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description = """Intel Math Kernel Library is a library of highly optimized,
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extensively threaded math routines for science, engineering, and financial
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applications that require maximum performance. Core math functions include
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BLAS, LAPACK, ScaLAPACK, Sparse Solvers, Fast Fourier Transforms, Vector Math, and more."""
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toolchain = {'name': 'iompi', 'version': '2017b'}
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sources = ['l_mkl_%(version)s.tgz']
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dontcreateinstalldir = 'True'
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license_file = '/apps/licenses/intel/license.lic'
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interfaces = True
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postinstallcmds = [
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# extract the examples
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'tar xvzf %(installdir)s/mkl/examples/examples_cluster_c.tgz -C %(installdir)s/mkl/examples/',
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'tar xvzf %(installdir)s/mkl/examples/examples_cluster_f.tgz -C %(installdir)s/mkl/examples/',
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'tar xvzf %(installdir)s/mkl/examples/examples_core_c.tgz -C %(installdir)s/mkl/examples/',
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'tar xvzf %(installdir)s/mkl/examples/examples_core_f.tgz -C %(installdir)s/mkl/examples/',
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'tar xvzf %(installdir)s/mkl/examples/examples_f95.tgz -C %(installdir)s/mkl/examples/',
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'tar xvzf %(installdir)s/mkl/examples/examples_mic_c.tgz -C %(installdir)s/mkl/examples/',
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'tar xvzf %(installdir)s/mkl/examples/examples_mic_f.tgz -C %(installdir)s/mkl/examples/',
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]
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modextravars = {
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'MKL_EXAMPLES': '%(installdir)s/mkl/examples/',
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}
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moduleclass = 'numlib'
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24
i/iomkl/iomkl-2017b.eb
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24
i/iomkl/iomkl-2017b.eb
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# IT4Innovations 2018
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easyblock = "Toolchain"
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name = 'iomkl'
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version = '2017b'
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homepage = 'http://software.intel.com/en-us/intel-cluster-toolkit-compiler/'
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description = """Intel Cluster Toolchain Compiler Edition provides Intel C/C++ and Fortran compilers, Intel MKL &
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OpenMPI."""
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toolchain = {'name': 'dummy', 'version': ''}
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compver = '2017.5.239'
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gccsuff = '-GCC-6.3.0-2.27'
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dependencies = [
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('icc', compver, gccsuff),
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('ifort', compver, gccsuff),
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('OpenMPI', '1.10.7', gccsuff, True),
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('imkl', '2017.4.239', '', ('iompi', version)),
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]
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moduleclass = 'toolchain'
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22
i/iompi/iompi-2017b.eb
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i/iompi/iompi-2017b.eb
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# IT4Innovations 2018
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easyblock = "Toolchain"
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name = 'iompi'
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version = '2017b'
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homepage = 'http://software.intel.com/en-us/intel-cluster-toolkit-compiler/'
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description = """Intel C/C++ and Fortran compilers, alongside Open MPI."""
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toolchain = {'name': 'dummy', 'version': 'dummy'}
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compver = '2017.5.239'
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compversuff = '-GCC-6.3.0-2.27'
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dependencies = [
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('icc', compver, compversuff),
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('ifort', compver, compversuff),
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('OpenMPI', '1.10.7', compversuff, True),
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]
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moduleclass = 'toolchain'
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@ -1,25 +0,0 @@
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# eb MATLAB-2013a.eb -r --include-easyblocks /apps/easybuild/python/easybuild/easyblocks/m/matlab.py
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name = 'MATLAB'
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version = '2013a'
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versionsuffix = '-EDU'
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homepage = 'http://www.mathworks.com/products/matlab'
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description = """MATLAB is a high-level language and interactive environment
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that enables you to perform computationally intensive tasks faster than with
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traditional programming languages such as C, C++, and Fortran."""
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toolchain = {'name': 'dummy', 'version': ''}
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sources = [SOURCELOWER_TAR_GZ]
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dependencies = [
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('Java', '1.8.0_121')
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]
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import os
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license_server = os.getenv('EB_MATLAB_LICENSE_SERVER', 'licedu.it4i.cz')
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license_server_port = os.getenv('EB_MATLAB_LICENSE_SERVER_PORT', '27010')
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key = os.getenv('EB_MATLAB_KEY', '31436-08209-25612-60500-02539-46860-32436-47249-45889-28649-10493-63042-37692-64719-31236-62574-35032-59551')
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exts_defaultclass = os.getenv('EB_MATLAB_KEY', '45771-53699-35271-44920-00140-27727-41599-08721-28943-58889-44878-45933')
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moduleclass = 'math'
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@ -1,25 +0,0 @@
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# eb MATLAB-2015b.eb -r --include-easyblocks /apps/easybuild/python/easybuild/easyblocks/m/matlab.py
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name = 'MATLAB'
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version = '2015b'
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versionsuffix = '-EDU-test'
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homepage = 'http://www.mathworks.com/products/matlab'
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description = """MATLAB is a high-level language and interactive environment
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that enables you to perform computationally intensive tasks faster than with
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traditional programming languages such as C, C++, and Fortran."""
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toolchain = {'name': 'dummy', 'version': ''}
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sources = [SOURCELOWER_TAR_GZ]
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dependencies = [
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('Java', '1.8.0_121')
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]
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import os
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license_server = os.getenv('EB_MATLAB_LICENSE_SERVER', 'licedu.it4i.cz')
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license_server_port = os.getenv('EB_MATLAB_LICENSE_SERVER_PORT', '27010')
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key = os.getenv('EB_MATLAB_KEY', '01837-22471-65311-44000-30926-45262-61301-10749-03992-33423-50624-53373')
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exts_defaultclass = os.getenv('EB_MATLAB_KEY', '02626-18608-33083-55073-59752-43025-58460-00605-60588-10846-07680-36387-39802-49331-29071-19472-31528-61306-56008-38720')
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moduleclass = 'math'
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@ -1,27 +0,0 @@
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# IT4Innovations 2018
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# eb MATLAB-2018a.eb -r --include-easyblocks /apps/easybuild/python/easybuild/easyblocks/m/matlab.py
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name = 'MATLAB'
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version = '2018a'
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versionsuffix = '-EDU'
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homepage = 'http://www.mathworks.com/products/matlab'
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description = """MATLAB is a high-level language and interactive environment
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that enables you to perform computationally intensive tasks faster than with
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traditional programming languages such as C, C++, and Fortran."""
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toolchain = {'name': 'dummy', 'version': ''}
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sources = [SOURCELOWER_TAR_GZ]
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dependencies = [
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('Java', '1.8.0_121')
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]
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import os
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license_server = os.getenv('EB_MATLAB_LICENSE_SERVER', 'licedu.it4i.cz')
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license_server_port = os.getenv('EB_MATLAB_LICENSE_SERVER_PORT', '27010')
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key = os.getenv('EB_MATLAB_KEY', '32281-34896-01091-33020-46066')
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#exts_defaultclass = os.getenv('EB_MATLAB_KEY', '45771-53699-35271-44920-00140-27727-41599-08721-28943-58889-44878-45933')
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moduleclass = 'math'
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19
n/netCDF-Fortran/netCDF-Fortran-4.4.4-iomkl-2017b.eb
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19
n/netCDF-Fortran/netCDF-Fortran-4.4.4-iomkl-2017b.eb
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# IT4Innovations 2018
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name = 'netCDF-Fortran'
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version = '4.4.4'
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homepage = 'http://www.unidata.ucar.edu/software/netcdf/'
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description = """NetCDF (network Common Data Form) is a set of software libraries
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and machine-independent data formats that support the creation, access, and sharing of array-oriented
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scientific data."""
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toolchain = {'name': 'iomkl', 'version': '2017b'}
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toolchainopts = {'pic': True}
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sources = ['v%(version)s.tar.gz']
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source_urls = ['https://github.com/Unidata/netcdf-fortran/archive']
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dependencies = [('netCDF', '4.6.1')]
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moduleclass = 'data'
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35
n/netCDF/netCDF-4.6.1-iomkl-2017b.eb
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35
n/netCDF/netCDF-4.6.1-iomkl-2017b.eb
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# IT4Innovations 2018
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name = 'netCDF'
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version = '4.6.1'
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homepage = 'http://www.unidata.ucar.edu/software/netcdf/'
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description = """NetCDF (network Common Data Form) is a set of software libraries
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and machine-independent data formats that support the creation, access, and sharing of array-oriented
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scientific data."""
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toolchain = {'name': 'iomkl', 'version': '2017b'}
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toolchainopts = {'pic': True, 'usempi': True}
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sources = ['v%(version)s.tar.gz']
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source_urls = ['https://github.com/Unidata/netcdf-c/archive/']
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dependencies = [
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('HDF5', '1.10.1'),
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('cURL', '7.56.1', '', True),
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('Szip', '2.1', '', True),
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]
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builddependencies = [
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('Autotools', '20180311', '', True),
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('CMake', '3.11.4', '' , ('GCC', '6.3.0-2.27')),
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('Doxygen', '1.8.11', '', True),
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]
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# make sure both static and shared libs are built
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configopts = [
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"-DBUILD_SHARED_LIBS=OFF ",
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"-DBUILD_SHARED_LIBS=ON ",
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]
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moduleclass = 'data'
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