From 60e00390a6cc43cf285026ae7f29fe762235f1b4 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Luk=C3=A1=C5=A1=20Krup=C4=8D=C3=ADk?= Date: Tue, 21 Aug 2018 06:37:53 +0200 Subject: [PATCH 1/2] deleted: m/MATLAB/MATLAB-2013a.eb deleted: m/MATLAB/MATLAB-2015b.eb deleted: m/MATLAB/MATLAB-2018a.eb Former-commit-id: ebb415940d5accf1596ca789ff9a4f3df06f5f80 --- m/MATLAB/MATLAB-2013a.eb | 25 ------------------------- m/MATLAB/MATLAB-2015b.eb | 25 ------------------------- m/MATLAB/MATLAB-2018a.eb | 27 --------------------------- 3 files changed, 77 deletions(-) delete mode 100644 m/MATLAB/MATLAB-2013a.eb delete mode 100644 m/MATLAB/MATLAB-2015b.eb delete mode 100644 m/MATLAB/MATLAB-2018a.eb diff --git a/m/MATLAB/MATLAB-2013a.eb b/m/MATLAB/MATLAB-2013a.eb deleted file mode 100644 index d52caeaa..00000000 --- a/m/MATLAB/MATLAB-2013a.eb +++ /dev/null @@ -1,25 +0,0 @@ -# eb MATLAB-2013a.eb -r --include-easyblocks /apps/easybuild/python/easybuild/easyblocks/m/matlab.py -name = 'MATLAB' -version = '2013a' -versionsuffix = '-EDU' - -homepage = 'http://www.mathworks.com/products/matlab' -description = """MATLAB is a high-level language and interactive environment - that enables you to perform computationally intensive tasks faster than with - traditional programming languages such as C, C++, and Fortran.""" - -toolchain = {'name': 'dummy', 'version': ''} - -sources = [SOURCELOWER_TAR_GZ] - -dependencies = [ - ('Java', '1.8.0_121') -] - -import os -license_server = os.getenv('EB_MATLAB_LICENSE_SERVER', 'licedu.it4i.cz') -license_server_port = os.getenv('EB_MATLAB_LICENSE_SERVER_PORT', '27010') -key = os.getenv('EB_MATLAB_KEY', '31436-08209-25612-60500-02539-46860-32436-47249-45889-28649-10493-63042-37692-64719-31236-62574-35032-59551') -exts_defaultclass = os.getenv('EB_MATLAB_KEY', '45771-53699-35271-44920-00140-27727-41599-08721-28943-58889-44878-45933') - -moduleclass = 'math' diff --git a/m/MATLAB/MATLAB-2015b.eb b/m/MATLAB/MATLAB-2015b.eb deleted file mode 100644 index dfcbed08..00000000 --- a/m/MATLAB/MATLAB-2015b.eb +++ /dev/null @@ -1,25 +0,0 @@ -# eb MATLAB-2015b.eb -r --include-easyblocks /apps/easybuild/python/easybuild/easyblocks/m/matlab.py -name = 'MATLAB' -version = '2015b' -versionsuffix = '-EDU-test' - -homepage = 'http://www.mathworks.com/products/matlab' -description = """MATLAB is a high-level language and interactive environment - that enables you to perform computationally intensive tasks faster than with - traditional programming languages such as C, C++, and Fortran.""" - -toolchain = {'name': 'dummy', 'version': ''} - -sources = [SOURCELOWER_TAR_GZ] - -dependencies = [ - ('Java', '1.8.0_121') -] - -import os -license_server = os.getenv('EB_MATLAB_LICENSE_SERVER', 'licedu.it4i.cz') -license_server_port = os.getenv('EB_MATLAB_LICENSE_SERVER_PORT', '27010') -key = os.getenv('EB_MATLAB_KEY', '01837-22471-65311-44000-30926-45262-61301-10749-03992-33423-50624-53373') -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') - -moduleclass = 'math' diff --git a/m/MATLAB/MATLAB-2018a.eb b/m/MATLAB/MATLAB-2018a.eb deleted file mode 100644 index db859584..00000000 --- a/m/MATLAB/MATLAB-2018a.eb +++ /dev/null @@ -1,27 +0,0 @@ -# IT4Innovations 2018 -# eb MATLAB-2018a.eb -r --include-easyblocks /apps/easybuild/python/easybuild/easyblocks/m/matlab.py - -name = 'MATLAB' -version = '2018a' -versionsuffix = '-EDU' - -homepage = 'http://www.mathworks.com/products/matlab' -description = """MATLAB is a high-level language and interactive environment - that enables you to perform computationally intensive tasks faster than with - traditional programming languages such as C, C++, and Fortran.""" - -toolchain = {'name': 'dummy', 'version': ''} - -sources = [SOURCELOWER_TAR_GZ] - -dependencies = [ - ('Java', '1.8.0_121') -] - -import os -license_server = os.getenv('EB_MATLAB_LICENSE_SERVER', 'licedu.it4i.cz') -license_server_port = os.getenv('EB_MATLAB_LICENSE_SERVER_PORT', '27010') -key = os.getenv('EB_MATLAB_KEY', '32281-34896-01091-33020-46066') -#exts_defaultclass = os.getenv('EB_MATLAB_KEY', '45771-53699-35271-44920-00140-27727-41599-08721-28943-58889-44878-45933') - -moduleclass = 'math' From e496d7ac1288a40af5a7e897dae51b2dfd819d41 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Luk=C3=A1=C5=A1=20Krup=C4=8D=C3=ADk?= Date: Tue, 21 Aug 2018 11:02:46 +0200 Subject: [PATCH 2/2] new file: a/Amber/Amber-18-iomkl-2017b-AmberTools-18-serial.eb new file: h/HDF5/HDF5-1.10.1-iomkl-2017b.eb new file: i/imkl/imkl-2017.4.239-iompi-2017b.eb new file: i/iomkl/iomkl-2017b.eb new file: i/iompi/iompi-2017b.eb new file: n/netCDF-Fortran/netCDF-Fortran-4.4.4-iomkl-2017b.eb new file: n/netCDF/netCDF-4.6.1-iomkl-2017b.eb Former-commit-id: 56909937a645128d160f538f049f23af47a25212 --- ...ber-18-iomkl-2017b-AmberTools-18-serial.eb | 31 ++++++++++++++++ h/HDF5/HDF5-1.10.1-iomkl-2017b.eb | 24 ++++++++++++ i/imkl/imkl-2017.4.239-iompi-2017b.eb | 37 +++++++++++++++++++ i/iomkl/iomkl-2017b.eb | 24 ++++++++++++ i/iompi/iompi-2017b.eb | 22 +++++++++++ .../netCDF-Fortran-4.4.4-iomkl-2017b.eb | 19 ++++++++++ n/netCDF/netCDF-4.6.1-iomkl-2017b.eb | 35 ++++++++++++++++++ 7 files changed, 192 insertions(+) create mode 100644 a/Amber/Amber-18-iomkl-2017b-AmberTools-18-serial.eb create mode 100644 h/HDF5/HDF5-1.10.1-iomkl-2017b.eb create mode 100644 i/imkl/imkl-2017.4.239-iompi-2017b.eb create mode 100644 i/iomkl/iomkl-2017b.eb create mode 100644 i/iompi/iompi-2017b.eb create mode 100644 n/netCDF-Fortran/netCDF-Fortran-4.4.4-iomkl-2017b.eb create mode 100644 n/netCDF/netCDF-4.6.1-iomkl-2017b.eb diff --git a/a/Amber/Amber-18-iomkl-2017b-AmberTools-18-serial.eb b/a/Amber/Amber-18-iomkl-2017b-AmberTools-18-serial.eb new file mode 100644 index 00000000..40434326 --- /dev/null +++ b/a/Amber/Amber-18-iomkl-2017b-AmberTools-18-serial.eb @@ -0,0 +1,31 @@ +# IT4Innovations 2018 + +name = 'Amber' +version = '18' +ambertools_ver = '18' +# Patch levels from http://ambermd.org/bugfixes16.html and http://ambermd.org/bugfixesat.html +#patchlevels = (5, 14) # (AmberTools, Amber) +versionsuffix = '-AmberTools-%s-serial' %(ambertools_ver) + +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': '2017b'} +toolchainopts = {'usempi': False} + +sources = [ + 'Amber%(version)s.tar.bz2', + 'AmberTools%s.tar.bz2' % ambertools_ver, +] + +#patches = ['Amber-%(version)s_fix-hardcoding.patch'] + +dependencies = [ + ('netCDF', '4.6.1'), + ('netCDF-Fortran', '4.4.4'), + ('Py', '2.7', '', True), +] + +moduleclass = 'chem' diff --git a/h/HDF5/HDF5-1.10.1-iomkl-2017b.eb b/h/HDF5/HDF5-1.10.1-iomkl-2017b.eb new file mode 100644 index 00000000..b25aba3b --- /dev/null +++ b/h/HDF5/HDF5-1.10.1-iomkl-2017b.eb @@ -0,0 +1,24 @@ +# IT4Innovations 2018 + +name = 'HDF5' +version = '1.10.1' + +homepage = 'http://www.hdfgroup.org/HDF5/' +description = """HDF5 is a unique technology suite that makes possible the management of + extremely large and complex data collections.""" + +toolchain = {'name': 'iomkl', 'version': '2017b'} +toolchainopts = {'pic': True, 'usempi': False} + +source_urls = ['https://support.hdfgroup.org/ftp/HDF5/releases/hdf5-%(version_major_minor)s/hdf5-%(version)s/src'] + +sources = [SOURCELOWER_TAR_GZ] + +buildopts = 'CXXFLAGS="$CXXFLAGS -DMPICH_IGNORE_CXX_SEEK"' + +dependencies = [ + ('zlib', '1.2.11', '', True), + ('Szip', '2.1', '', True), +] + +moduleclass = 'data' diff --git a/i/imkl/imkl-2017.4.239-iompi-2017b.eb b/i/imkl/imkl-2017.4.239-iompi-2017b.eb new file mode 100644 index 00000000..e753cd72 --- /dev/null +++ b/i/imkl/imkl-2017.4.239-iompi-2017b.eb @@ -0,0 +1,37 @@ +# IT4Innovations 2018 + +name = 'imkl' +version = '2017.4.239' + +homepage = 'http://software.intel.com/en-us/intel-mkl/' +description = """Intel Math Kernel Library is a library of highly optimized, + extensively threaded math routines for science, engineering, and financial + applications that require maximum performance. Core math functions include + BLAS, LAPACK, ScaLAPACK, Sparse Solvers, Fast Fourier Transforms, Vector Math, and more.""" + +toolchain = {'name': 'iompi', 'version': '2017b'} + +sources = ['l_mkl_%(version)s.tgz'] + +dontcreateinstalldir = 'True' + +license_file = '/apps/licenses/intel/license.lic' + +interfaces = True + +postinstallcmds = [ + # extract the examples + 'tar xvzf %(installdir)s/mkl/examples/examples_cluster_c.tgz -C %(installdir)s/mkl/examples/', + 'tar xvzf %(installdir)s/mkl/examples/examples_cluster_f.tgz -C %(installdir)s/mkl/examples/', + 'tar xvzf %(installdir)s/mkl/examples/examples_core_c.tgz -C %(installdir)s/mkl/examples/', + 'tar xvzf %(installdir)s/mkl/examples/examples_core_f.tgz -C %(installdir)s/mkl/examples/', + 'tar xvzf %(installdir)s/mkl/examples/examples_f95.tgz -C %(installdir)s/mkl/examples/', + 'tar xvzf %(installdir)s/mkl/examples/examples_mic_c.tgz -C %(installdir)s/mkl/examples/', + 'tar xvzf %(installdir)s/mkl/examples/examples_mic_f.tgz -C %(installdir)s/mkl/examples/', +] + +modextravars = { + 'MKL_EXAMPLES': '%(installdir)s/mkl/examples/', +} + +moduleclass = 'numlib' diff --git a/i/iomkl/iomkl-2017b.eb b/i/iomkl/iomkl-2017b.eb new file mode 100644 index 00000000..5f21d761 --- /dev/null +++ b/i/iomkl/iomkl-2017b.eb @@ -0,0 +1,24 @@ +# IT4Innovations 2018 + +easyblock = "Toolchain" + +name = 'iomkl' +version = '2017b' + +homepage = 'http://software.intel.com/en-us/intel-cluster-toolkit-compiler/' +description = """Intel Cluster Toolchain Compiler Edition provides Intel C/C++ and Fortran compilers, Intel MKL & + OpenMPI.""" + +toolchain = {'name': 'dummy', 'version': ''} + +compver = '2017.5.239' +gccsuff = '-GCC-6.3.0-2.27' + +dependencies = [ + ('icc', compver, gccsuff), + ('ifort', compver, gccsuff), + ('OpenMPI', '1.10.7', gccsuff, True), + ('imkl', '2017.4.239', '', ('iompi', version)), +] + +moduleclass = 'toolchain' diff --git a/i/iompi/iompi-2017b.eb b/i/iompi/iompi-2017b.eb new file mode 100644 index 00000000..d0783934 --- /dev/null +++ b/i/iompi/iompi-2017b.eb @@ -0,0 +1,22 @@ +# IT4Innovations 2018 + +easyblock = "Toolchain" + +name = 'iompi' +version = '2017b' + +homepage = 'http://software.intel.com/en-us/intel-cluster-toolkit-compiler/' +description = """Intel C/C++ and Fortran compilers, alongside Open MPI.""" + +toolchain = {'name': 'dummy', 'version': 'dummy'} + +compver = '2017.5.239' +compversuff = '-GCC-6.3.0-2.27' + +dependencies = [ + ('icc', compver, compversuff), + ('ifort', compver, compversuff), + ('OpenMPI', '1.10.7', compversuff, True), +] + +moduleclass = 'toolchain' diff --git a/n/netCDF-Fortran/netCDF-Fortran-4.4.4-iomkl-2017b.eb b/n/netCDF-Fortran/netCDF-Fortran-4.4.4-iomkl-2017b.eb new file mode 100644 index 00000000..7403df1f --- /dev/null +++ b/n/netCDF-Fortran/netCDF-Fortran-4.4.4-iomkl-2017b.eb @@ -0,0 +1,19 @@ +# IT4Innovations 2018 + +name = 'netCDF-Fortran' +version = '4.4.4' + +homepage = 'http://www.unidata.ucar.edu/software/netcdf/' +description = """NetCDF (network Common Data Form) is a set of software libraries + and machine-independent data formats that support the creation, access, and sharing of array-oriented + scientific data.""" + +toolchain = {'name': 'iomkl', 'version': '2017b'} +toolchainopts = {'pic': True} + +sources = ['v%(version)s.tar.gz'] +source_urls = ['https://github.com/Unidata/netcdf-fortran/archive'] + +dependencies = [('netCDF', '4.6.1')] + +moduleclass = 'data' diff --git a/n/netCDF/netCDF-4.6.1-iomkl-2017b.eb b/n/netCDF/netCDF-4.6.1-iomkl-2017b.eb new file mode 100644 index 00000000..c7705425 --- /dev/null +++ b/n/netCDF/netCDF-4.6.1-iomkl-2017b.eb @@ -0,0 +1,35 @@ +# IT4Innovations 2018 + +name = 'netCDF' +version = '4.6.1' + +homepage = 'http://www.unidata.ucar.edu/software/netcdf/' +description = """NetCDF (network Common Data Form) is a set of software libraries + and machine-independent data formats that support the creation, access, and sharing of array-oriented + scientific data.""" + +toolchain = {'name': 'iomkl', 'version': '2017b'} +toolchainopts = {'pic': True, 'usempi': True} + +sources = ['v%(version)s.tar.gz'] +source_urls = ['https://github.com/Unidata/netcdf-c/archive/'] + +dependencies = [ + ('HDF5', '1.10.1'), + ('cURL', '7.56.1', '', True), + ('Szip', '2.1', '', True), +] + +builddependencies = [ + ('Autotools', '20180311', '', True), + ('CMake', '3.11.4', '' , ('GCC', '6.3.0-2.27')), + ('Doxygen', '1.8.11', '', True), +] + +# make sure both static and shared libs are built +configopts = [ + "-DBUILD_SHARED_LIBS=OFF ", + "-DBUILD_SHARED_LIBS=ON ", +] + +moduleclass = 'data'