Commit 62f6a242 authored by Lukáš Krupčík's avatar Lukáš Krupčík

new file: a/attrs/attrs-19.1.0-Py-2.7.eb

	new file:   b/Boost/Boost-1.68.0-intel-2017c-Py-2.7.eb
	new file:   c/CMake/CMake-3.14.1-intel-2017c.eb
	new file:   c/CheMPS2/CheMPS2-1.8.9-intel-2017c.eb
	new file:   d/decorator/decorator-4.4.0-Py-2.7.eb
	new file:   d/deepdiff/deepdiff-3.3.0-Py-2.7.eb
	new file:   d/deepdiff/deepdiff-4.0.6-Py-2.7.eb
	new file:   g/GLM/GLM-0.9.9.0-GCCcore-6.3.0.eb
	new file:   h/HDF5/HDF5-1.10.4-intel-2017c-parallel.eb
	new file:   h/HDF5/HDF5-1.10.4-intel-2017c.eb
	modified:   l/libGLU/libGLU-9.0.0.eb
	modified:   l/libpng/libpng-1.6.29.eb
	new file:   m/MATIO/MATIO-1.5.12-GCCcore-6.3.0.eb
	new file:   n/netCDF/netCDF-4.6.1-intel-2017c.eb
	new file:   n/networkx/networkx-2.2-Py-2.7.eb
	new file:   n/networkx/networkx-2.3-Py-2.7.eb
	new file:   p/PSI4/PSI4-1.2.1-intel-2017c-Py-2.7.eb
	new file:   p/PSI4/PSI4-1.2.1_fix_cmake_release.patch
	new file:   p/ParMETIS/ParMETIS-4.0.3-intel-2017c.eb
	new file:   p/pluggy/pluggy-0.9.0-Py-2.7.eb
	new file:   p/pytest/pytest-4.4.0-Py-2.7.eb
	modified:   r/R/R-3.5.3-intel-2017a.eb
	new file:   s/SCOTCH/SCOTCH-6.0.6-intel-2017c.eb
	new file:   s/SuiteSparse/SuiteSparse-5.1.2-intel-2017c-METIS-5.1.0.eb
	new file:   s/SuiteSparse/SuiteSparse-5.4.0-intel-2017c-METIS-5.1.0.eb
	new file:   s/six/six-1.12.0-Py-2.7.eb
	new file:   t/Trilinos/Trilinos-12.12.1-intel-2017c-Py-2.7.eb
parent 6d414235
Pipeline #7601 failed with stage
in 15 seconds
# IT4Innovations 2019
easyblock = 'PythonPackage'
name = 'attrs'
version = '19.1.0'
homepage = 'http://www.attrs.org/'
description = 'Classes Without Boilerplate'
toolchain = {'name': 'Py', 'version': '2.7'}
source_urls = [PYPI_SOURCE]
sources = [SOURCE_TAR_GZ]
options = {'modulename': 'attr'}
sanity_check_paths = {
'files': [],
'dirs': ['lib/python2.7/site-packages/%(name)s-%(version)s-py2.7.egg'],
}
moduleclass = 'python'
# IT4Innovations 2018
name = 'Boost'
version = '1.68.0'
versionsuffix = '-Py-2.7'
homepage = 'http://www.boost.org/'
description = """Boost provides free peer-reviewed portable C++ source libraries."""
toolchain = {'name': 'intel', 'version': '2017c'}
toolchainopts = {'pic': True, 'usempi': True}
source_urls = [SOURCEFORGE_SOURCE]
sources = ['%%(namelower)s_%s.tar.gz' % '_'.join(version.split('.'))]
dependencies = [
('bzip2', '1.0.6', '', True),
('zlib', '1.2.11', '', True),
('Py', '2.7', '', True)
]
configopts = '--with-python=$EBROOTPYTHON/bin/python'
# also build boost_mpi
boost_mpi = True
moduleclass = 'devel'
# IT4Innovations 2019
easyblock = 'ConfigureMake'
name = 'CMake'
version = '3.14.1'
homepage = 'http://www.cmake.org'
description = """CMake, the cross-platform, open-source build system.
CMake is a family of tools designed to build, test and package software."""
toolchain = {'name': 'intel', 'version': '2017c'}
source_urls = ['http://www.cmake.org/files/v%(version_major_minor)s']
sources = [SOURCELOWER_TAR_GZ]
configopts = '-- -DCMAKE_USE_OPENSSL=1'
dependencies = [
('ncurses', '6.1', '', True),
]
osdependencies = [('openssl-devel', 'libssl-dev', 'libopenssl-devel')]
sanity_check_paths = {
'files': ["bin/%s" % x for x in ['cmake', 'cpack', 'ctest']],
'dirs': [],
}
moduleclass = 'devel'
# IT4Innovations 2019
easyblock = 'CMakeMake'
name = 'CheMPS2'
version = '1.8.9'
homepage = 'https://github.com/SebWouters/CheMPS2'
description = """CheMPS2 is a scientific library which contains a spin-adapted implementation of the
density matrix renormalization group (DMRG) for ab initio quantum chemistry."""
toolchain = {'name': 'intel', 'version': '2017c'}
source_urls = ['https://github.com/SebWouters/CheMPS2/archive/']
sources = ['v%(version)s.tar.gz']
builddependencies = [
('CMake', '3.14.1', '', True)
]
dependencies = [
('HDF5', '1.10.4')
]
pretestopts = 'export OMP_NUM_THREADS=1 && '
#runtest = 'test'
separate_build_dir = True
sanity_check_paths = {
'files': ['bin/chemps2', 'lib64/libchemps2.%s' % SHLIB_EXT, 'lib64/libchemps2.a'],
'dirs': ['include/chemps2']
}
moduleclass = 'chem'
# IT4Innovations 2019
easyblock = "PythonPackage"
name = 'decorator'
version = '4.4.0'
homepage = 'https://pypi.python.org/pypi/decorator'
description = 'Better living through Python with decorators.'
toolchain = {'name': 'Py', 'version': '2.7'}
source_urls = [PYPI_SOURCE]
sources = [SOURCE_TAR_GZ]
sanity_check_paths = {
'files': [],
'dirs': ['lib/python2.7/site-packages/%(name)s-%(version)s-py2.7.egg'],
}
moduleclass = 'python'
# IT4Innovations 2019
easyblock = "PythonPackage"
name = 'deepdiff'
version = '3.3.0'
homepage = 'https://pypi.org/project/deepdiff/'
description = 'Python 2 and 3 compatibility library.'
toolchain = {'name': 'Py', 'version': '2.7'}
source_urls = ['https://files.pythonhosted.org/packages/63/61/cbff468d03c3a8b5893f9c77d9849383692111b79dc849e297fcee977af5/']
sources = ['deepdiff-%(version)s.tar.gz']
sanity_check_paths = {
'files': [],
'dirs': ['lib/python2.7/site-packages/%(name)s-%(version)s-py2.7.egg'],
}
moduleclass = 'python'
# IT4Innovations 2019
easyblock = "PythonPackage"
name = 'deepdiff'
version = '4.0.6'
homepage = 'https://pypi.org/project/deepdiff/'
description = 'Python 2 and 3 compatibility library.'
toolchain = {'name': 'Py', 'version': '2.7'}
source_urls = ['https://files.pythonhosted.org/packages/19/6e/47b8ec63a0dea28c7d59e8cfadc4ea11c53ee156100bf42fd63d92f32e65/']
sources = ['deepdiff-%(version)s.tar.gz']
sanity_check_paths = {
'files': [],
'dirs': ['lib/python2.7/site-packages/%(name)s-%(version)s-py2.7.egg'],
}
moduleclass = 'python'
# IT4Innvoations 2019
easyblock = 'CMakeMake'
name = 'GLM'
version = '0.9.9.0'
homepage = 'https://github.com/g-truc/glm'
description = """OpenGL Mathematics (GLM) is a header only C++ mathematics library for graphics software based on
the OpenGL Shading Language (GLSL) specifications."""
toolchain = {'name': 'GCCcore', 'version': '6.3.0'}
source_urls = ['https://github.com/g-truc/glm/archive/']
sources = ['%(version)s.tar.gz']
checksums = ['514dea9ac0099dc389cf293cf1ab3d97aff080abad55bf79d4ab7ff6895ee69c']
builddependencies = [
('binutils', '2.27'),
('CMake', '3.13.1', '', True),
]
sanity_check_paths = {
'files': [],
'dirs': ['include/glm/', 'include/glm/gtc', 'include/glm/gtx'],
}
moduleclass = 'lib'
# IT4Innovations 2019
name = 'HDF5'
version = '1.10.4'
versionsuffix = '-parallel'
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': 'intel', 'version': '2017c'}
toolchainopts = {'pic': True, 'usempi': True}
source_urls = [
'https://support.hdfgroup.org/ftp/HDF5/releases/hdf5-%(version_major_minor)s/hdf5-%(version)s/src']
sources = [SOURCELOWER_TAR_GZ]
dependencies = [
('zlib', '1.2.11', '', True),
('Szip', '2.1', '', True),
]
moduleclass = 'data'
# IT4Innovations 2019
name = 'HDF5'
version = '1.10.4'
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': 'intel', 'version': '2017c'}
toolchainopts = {'pic': True, 'usempi': True}
source_urls = [
'https://support.hdfgroup.org/ftp/HDF5/releases/hdf5-%(version_major_minor)s/hdf5-%(version)s/src']
sources = [SOURCELOWER_TAR_GZ]
dependencies = [
('zlib', '1.2.11', '', True),
('Szip', '2.1', '', True),
]
moduleclass = 'data'
......@@ -16,6 +16,10 @@ source_urls = [
]
sources = ['glu-%(version)s.tar.gz']
dependencies = [
('Mesa', '18.3.1'),
]
sanity_check_paths = {
'files': ['lib/libGLU.so.1'],
......
......@@ -14,8 +14,10 @@ sources = [SOURCELOWER_TAR_GZ]
dependencies = [('zlib', '1.2.11')]
preconfigopts = 'export LDFLAGS="-L/apps/all/zlib/1.2.8/lib" CPPFLAGS="-I/apps/all/zlib/1.2.8/include" &&'
preconfigopts = 'export LDFLAGS="-L/apps/all/zlib/1.2.11/lib" CPPFLAGS="-I/apps/all/zlib/1.2.11/include" &&'
configopts = "--with-pic"
maxparallel = 4
moduleclass = 'lib'
# IT4Innovations 2019
easyblock = 'ConfigureMake'
name = 'MATIO'
version = '1.5.12'
homepage = 'http://sourceforge.net/projects/matio/'
description = """matio is an C library for reading and writing Matlab MAT files."""
toolchain = {'name': 'GCCcore', 'version': '6.3.0'}
source_urls = [SOURCEFORGE_SOURCE]
sources = [SOURCELOWER_ZIP]
checksums = ['35932af9b4cfb4d87eb9fe0b238131182a622fb0f48459415737c29a50b6dc0e']
preconfigopts = 'chmod +x configure && '
builddependencies = [('binutils', '2.27')]
dependencies = [('zlib', '1.2.11', '', True)]
moduleclass = 'lib'
# IT4Innovations 2019
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': 'intel', 'version': '2017c'}
toolchainopts = {'pic': True, 'usempi': True}
sources = ['v%(version)s.tar.gz']
source_urls = [
'https://github.com/Unidata/netcdf-c/archive/'
]
dependencies = [
('HDF5', '1.10.4', '-parallel'),
('cURL', '7.56.1', '', True),
('Szip', '2.1', '', True),
]
builddependencies = [
('CMake', '3.13.1', '', True),
('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'
# IT4Innovations 2019
easyblock = 'PythonPackage'
name = 'networkx'
version = '2.2'
homepage = 'https://pypi.python.org/pypi/networkx'
description = """NetworkX is a Python package for the creation, manipulation, and study of the structure, dynamics,
and functions of complex networks."""
toolchain = {'name': 'Py', 'version': '2.7'}
source_urls = [PYPI_SOURCE]
sources = [SOURCE_ZIP]
dependencies = [
('decorator', '4.4.0')
]
sanity_check_paths = {
'files': [],
'dirs': ['lib/python2.7/site-packages/'],
}
moduleclass = 'python'
# IT4Innovations 2019
easyblock = 'PythonPackage'
name = 'networkx'
version = '2.3'
homepage = 'https://pypi.python.org/pypi/networkx'
description = """NetworkX is a Python package for the creation, manipulation, and study of the structure, dynamics,
and functions of complex networks."""
toolchain = {'name': 'Py', 'version': '2.7'}
source_urls = [PYPI_SOURCE]
sources = [SOURCE_ZIP]
dependencies = [
('decorator', '4.4.0')
]
sanity_check_paths = {
'files': [],
'dirs': ['lib/python3.6/site-packages/'],
}
moduleclass = 'python'
# IT4Innovations 2019
easyblock = 'EB_PSI'
name = 'PSI4'
version = '1.2.1'
versionsuffix = '-Py-2.7'
homepage = 'http://www.psicode.org/'
description = """PSI4 is an open-source suite of ab initio quantum chemistry programs designed for
efficient, high-accuracy simulations of a variety of molecular properties. We can routinely perform
computations with more than 2500 basis functions running serially or in parallel."""
toolchain = {'name': 'intel', 'version': '2017c'}
toolchainopts = {'usempi': True}
source_urls = ['https://github.com/psi4/psi4/archive']
sources = ['v%(version)s.tar.gz']
patches = ['PSI4-1.2.1_fix_cmake_release.patch']
dependencies = [
('Py', '2.7', '', True),
# PCMSolver recent versions fail with recent intel compilers.
# Tried with intel/201{7,8}b, and versions 1.1.12, and 1.2.1
# See in more details: https://github.com/PCMSolver/pcmsolver/issues/159
# ('PCMSolver', '1.2.1'),
('CheMPS2', '1.8.9'),
# Tests are failing with pytest 3.9.2
('pytest', '4.4.0', '-Py-2.7', True),
('networkx', '2.2', '-Py-2.7', True),
('deepdiff', '3.3.0', '-Py-2.7', True),
]
builddependencies = [
('CMake', '3.14.1', '' ,True),
# Perl needed for the ctest test suite during the installation, not for the pytest test suite after the installation
# ('Perl', '5.28.0'),
]
configopts = '-DENABLE_MPI=ON -DENABLE_PLUGINS=ON -DENABLE_XHOST=OFF '
# Install python mudule to the standard location instead of lib
configopts += '-DPYMOD_INSTALL_LIBDIR=/python2.7/site-packages '
# Add bundled (downloaded) packages
# -DENABLE_simint=ON does not work with intel/2018, so have to make with GCCcore
configopts += '-DENABLE_dkh=ON -DENABLE_gdma=ON -DENABLE_resp=ON -DENABLE_snsmp2=ON '
# runtest uses ctest, and some of the thests have to be manually compared
# to the reference output (those tests are marked failed)
# After installing PSI4, you can test the package using psi4 --test command. (This uses pytest framework)
# runtest = '-L smoke'
runtest = False
modextrapaths = {'PYTHONPATH': 'lib/python%(pyshortver)s/site-packages'}
moduleclass = 'chem'
# remove CMAKE_BUILD_TYPE check (beacuse it is set to EasyBuildRelease to avoid -O3 optimization flag)
# November 02nd 2018 by B. Hajgato - (Free University Brussels - VUB)
diff --new-file -ru psi4-1.2.1.orig/cmake/autocmake_safeguards.cmake psi4-1.2.1/cmake/autocmake_safeguards.cmake
--- psi4-1.2.1.orig/cmake/autocmake_safeguards.cmake 2018-07-25 04:11:25.000000000 +0200
+++ psi4-1.2.1/cmake/autocmake_safeguards.cmake 2018-10-30 16:18:26.650251435 +0100
@@ -19,8 +19,8 @@
string(TOLOWER "${CMAKE_BUILD_TYPE}" cmake_build_type_tolower)
string(TOUPPER "${CMAKE_BUILD_TYPE}" cmake_build_type_toupper)
-if(NOT cmake_build_type_tolower STREQUAL "debug" AND
- NOT cmake_build_type_tolower STREQUAL "release" AND
- NOT cmake_build_type_tolower STREQUAL "relwithdebinfo")
- message(FATAL_ERROR "Unknown build type \"${CMAKE_BUILD_TYPE}\". Allowed values are Debug, Release, RelWithDebInfo (case-insensitive).")
-endif()
+#if(NOT cmake_build_type_tolower STREQUAL "debug" AND
+# NOT cmake_build_type_tolower STREQUAL "release" AND
+# NOT cmake_build_type_tolower STREQUAL "relwithdebinfo")
+# message(FATAL_ERROR "Unknown build type \"${CMAKE_BUILD_TYPE}\". Allowed values are Debug, Release, RelWithDebInfo (case-insensitive).")
+#endif()
diff --new-file -ru psi4-1.2.1.orig/external/upstream/gau2grid/CMakeLists.txt psi4-1.2.1/external/upstream/gau2grid/CMakeLists.txt
--- psi4-1.2.1.orig/external/upstream/gau2grid/CMakeLists.txt 2018-07-25 04:11:25.000000000 +0200
+++ psi4-1.2.1/external/upstream/gau2grid/CMakeLists.txt 2018-10-30 16:36:23.558755892 +0100
@@ -16,6 +16,7 @@
GIT_REPOSITORY https://github.com/dgasmith/gau2grid
GIT_TAG v1.1.0
UPDATE_COMMAND ""
+ PATCH_COMMAND sed -e "s/debug/easybuildrelease/" -i cmake/autocmake_safeguards.cmake
CMAKE_ARGS -DCMAKE_INSTALL_PREFIX=${CMAKE_INSTALL_PREFIX}
-DCMAKE_BUILD_TYPE=${CMAKE_BUILD_TYPE}
-DCMAKE_C_COMPILER=${CMAKE_C_COMPILER}
diff --new-file -ru psi4-1.2.1.orig/external/upstream/libint/CMakeLists.txt psi4-1.2.1/external/upstream/libint/CMakeLists.txt
--- psi4-1.2.1.orig/external/upstream/libint/CMakeLists.txt 2018-07-25 04:11:25.000000000 +0200
+++ psi4-1.2.1/external/upstream/libint/CMakeLists.txt 2018-10-30 16:40:02.623920471 +0100
@@ -15,6 +15,7 @@
GIT_REPOSITORY https://github.com/evaleev/libint
GIT_TAG 024738c # v1.2.1+2 release-1-2-1
UPDATE_COMMAND ""
+ PATCH_COMMAND sed -e "s/debug/easybuildrelease/" -i cmake/autocmake_safeguards.cmake
CMAKE_ARGS -DCMAKE_INSTALL_PREFIX=${CMAKE_INSTALL_PREFIX}
-DCMAKE_BUILD_TYPE=${CMAKE_BUILD_TYPE}
-DCMAKE_C_COMPILER=${CMAKE_C_COMPILER}
--- psi4-1.2.1/external/upstream/dkh/CMakeLists.txt.orig 2018-07-25 04:11:25.000000000 +0200
+++ psi4-1.2.1/external/upstream/dkh/CMakeLists.txt 2018-10-31 12:48:38.125438986 +0100
@@ -16,6 +16,7 @@
GIT_REPOSITORY https://github.com/psi4/dkh
GIT_TAG v1.2
UPDATE_COMMAND ""
+ PATCH_COMMAND sed -e "s/debug/easybuildrelease/" -i cmake/autocmake_safeguards.cmake
CMAKE_ARGS -DCMAKE_INSTALL_PREFIX=${CMAKE_INSTALL_PREFIX}
-DCMAKE_BUILD_TYPE=${CMAKE_BUILD_TYPE}
-DCMAKE_C_COMPILER=${CMAKE_C_COMPILER}
--- psi4-1.2.1/external/upstream/libefp/CMakeLists.txt.orig 2018-07-25 04:11:25.000000000 +0200
+++ psi4-1.2.1/external/upstream/libefp/CMakeLists.txt 2018-10-31 12:59:04.215388286 +0100
@@ -17,6 +17,7 @@
GIT_REPOSITORY https://github.com/ilyak/libefp
GIT_TAG 15cd7ce # v1.5.0 + 10 (docs and a cmake lapack patch)
UPDATE_COMMAND ""
+ PATCH_COMMAND sed -e "s/debug/easybuildrelease/" -i cmake/autocmake_safeguards.cmake
CMAKE_ARGS -DCMAKE_INSTALL_PREFIX=${CMAKE_INSTALL_PREFIX}
-DCMAKE_BUILD_TYPE=${CMAKE_BUILD_TYPE}
-DCMAKE_C_COMPILER=${CMAKE_C_COMPILER}
--- psi4-1.2.1/external/upstream/gdma/CMakeLists.txt.orig 2018-07-25 04:11:25.000000000 +0200
+++ psi4-1.2.1/external/upstream/gdma/CMakeLists.txt 2018-10-31 12:49:20.773048665 +0100
@@ -16,6 +16,7 @@
GIT_REPOSITORY https://github.com/psi4/gdma
GIT_TAG 9d607d7 # v2.2.6-2-g9d607d7
UPDATE_COMMAND ""
+ PATCH_COMMAND sed -e "s/debug/easybuildrelease/" -i cmake/autocmake_safeguards.cmake
CMAKE_ARGS -DCMAKE_INSTALL_PREFIX=${CMAKE_INSTALL_PREFIX}
-DCMAKE_BUILD_TYPE=${CMAKE_BUILD_TYPE}
-DCMAKE_C_COMPILER=${CMAKE_C_COMPILER}
--- psi4-1.2.1/external/upstream/libxc/CMakeLists.txt.orig 2018-11-05 10:15:58.840945366 +0100
+++ psi4-1.2.1/external/upstream/libxc/CMakeLists.txt 2018-11-05 10:14:59.248068042 +0100
@@ -15,6 +15,7 @@
GIT_REPOSITORY https://github.com/psi4/libxc
GIT_TAG libxc4retweaked # v4.0 (0387b1d1) + !62 + MVS corr + 4.0.2 bump + 2 build commits = c754e28
UPDATE_COMMAND ""
+ PATCH_COMMAND sed -e "s/debug/easybuildrelease/" -i cmake/autocmake_safeguards.cmake
CMAKE_ARGS -DCMAKE_INSTALL_PREFIX=${CMAKE_INSTALL_PREFIX}
-DCMAKE_BUILD_TYPE=${CMAKE_BUILD_TYPE}
-DCMAKE_C_COMPILER=${CMAKE_C_COMPILER}
# IT4Innovations 2019
name = 'ParMETIS'
version = '4.0.3'
homepage = 'http://glaros.dtc.umn.edu/gkhome/metis/parmetis/overview'
description = """ParMETIS is an MPI-based parallel library that implements a variety of algorithms for partitioning unstructured graphs,
meshes, and for computing fill-reducing orderings of sparse matrices. ParMETIS extends the functionality provided by METIS and includes
routines that are especially suited for parallel AMR computations and large scale numerical simulations. The algorithms implemented in
ParMETIS are based on the parallel multilevel k-way graph-partitioning, adaptive repartitioning, and parallel multi-constrained partitioning
schemes."""
toolchain = {'name': 'intel', 'version': '2017c'}
toolchainopts = {'usempi': True, 'pic': True}
source_urls = [
'http://glaros.dtc.umn.edu/gkhome/fetch/sw/parmetis',
'http://glaros.dtc.umn.edu/gkhome/fetch/sw/parmetis/OLD',
]
sources = [SOURCELOWER_TAR_GZ]
builddependencies = [('CMake', '3.13.1', '', True)]
moduleclass = 'math'
# IT4Innovations 2019
easyblock = 'PythonPackage'
name = 'pluggy'
version = '0.9.0'
homepage = 'https://github.com/pytest-dev/pluggy'
description = 'Plugin and hook calling mechanisms for python.'
toolchain = {'name': 'Py', 'version': '2.7'}
source_urls = [PYPI_SOURCE]
sources = [SOURCE_TAR_GZ]
sanity_check_paths = {
'files': [],
'dirs': ['lib/python2.7/site-packages/%(name)s-%(version)s-py2.7.egg'],
}
moduleclass = 'python'
# IT4Innovations 2019
easyblock = 'PythonPackage'
name = 'pytest'
version = '4.4.0'
homepage = 'http://pytest.org'
description = 'Simple powerful testing with Python'
toolchain = {'name': 'Py', 'version': '2.7'}
source_urls = [PYPI_SOURCE]
sources = [SOURCE_TAR_GZ]
dependencies = [
('six', '1.12.0'),
('pluggy', '0.9.0'),
('attrs', '19.1.0'),
]
sanity_check_paths = {
'files': [],
'dirs': ['lib/python2.7/site-packages/%(name)s-%(version)s-py2.7.egg'],
}
moduleclass = 'python'
......@@ -2,7 +2,6 @@
name = 'R'
version = '3.5.3'
versionsuffix = '-Python-2.7.13'
homepage = 'http://www.r-project.org/'
description = """R is a free software environment for statistical computing and graphics."""
......@@ -18,7 +17,6 @@ builddependencies = [
('pkg-config', '0.29.2', '', True),
]
dependencies = [
('Python', '2.7.13', '', True),
('X11', '20180604', '', True),
('Mesa', '18.3.1', '', True),
('libGLU', '9.0.0', '', True),
......@@ -37,7 +35,7 @@ dependencies = [
('Tk', '8.6.9', '', True), # for tcltk
('cURL', '7.56.1', '', True), # for RCurl
('libxml2', '2.9.9', '', True), # for XML
('GDAL', '2.1.3', versionsuffix, True), # for rgdal
('GDAL', '2.1.3', '-Python-2.7.13' , True), # for rgdal
('PROJ', '5.0.0'), # for rgdal
('GMP', '6.1.2', '', True), # for igraph
('NLopt', '2.4.2', '', True), # for nloptr
......@@ -1219,8 +1217,8 @@ exts_list = [
('TeachingDemos', '2.10', {
'checksums': ['2ef4c2e36ba13e32f66000e84281a3616584c86b255bca8643ff3fe4f78ed704'],
}),
('kohonen', '3.0.6', {
'checksums': ['8bdddc9d51635580256c80e801bb7dc9981d637eeaf2cffcbd83ec64641a202c'],
('kohonen', '3.0.2', {
'patches' : ['kohonen-3.0.2_icpc-wd308.patch'],
}),
('base64', '2.0', {
'checksums': ['8e259c2b12446197d1152b83a81bab84ccb5a5b77021a9b5645dd4c63c804bd1'],
......@@ -1273,6 +1271,7 @@ exts_list = [
}),
('forecast', '8.4', {
'checksums': ['695cdf0376f1f519a236bec52722c41ea5896f2064f1403d0ad4914c5611188f'],
'patches' : ['forecast-6.1_icpc-wd308.patch'],
}),
('fma', '2.3', {
'checksums': ['f516eff79e14d4ffefcdc2db06d97ae57f998e37e871264457078f671384fafc'],
......
# IT4Innovations 2019
name = 'SCOTCH'
version = '6.0.6'
homepage = 'http://gforge.inria.fr/projects/scotch/'
description = """Software package and libraries for sequential and parallel graph partitioning,
static mapping, and sparse matrix block ordering, and sequential mesh and hypergraph partitioning."""
toolchain = {'name': 'intel', 'version': '2017c'}
toolchainopts = {'pic': True}
source_urls = ['http://gforge.inria.fr/frs/download.php/file/34618/']
sources = ['%(namelower)s_%(version)s.tar.gz']
moduleclass = 'math'
# IT4Innovations 2019
name = 'SuiteSparse'
version = '5.1.2'
versionsuffix = '-METIS-5.1.0'
homepage = 'http://faculty.cse.tamu.edu/davis/suitesparse.html'
description = """SuiteSparse is a collection of libraries manipulate sparse matrices."""
toolchain = {'name': 'intel', 'version': '2017c'}
toolchainopts = {'unroll': True, 'pic': True}
source_urls = ['http://faculty.cse.tamu.edu/davis/SuiteSparse/']
sources = [SOURCE_TAR_GZ]
checksums = ['4ec8d344bd8e95b898132ddffd7ee93bfbb2c1224925d11bab844b08f9b4c3b7']
dependencies = [('METIS', '5.1.0', '', True)]
parallel = 1
moduleclass = 'numlib'
# IT4Innovations 2019
name = 'SuiteSparse'
version = '5.4.0'
versionsuffix = '-METIS-5.1.0'
homepage = 'http://faculty.cse.tamu.edu/davis/suitesparse.html'
description = """SuiteSparse is a collection of libraries manipulate sparse matrices."""
toolchain = {'name': 'intel', 'version': '2017c'}
toolchainopts = {'unroll': True, 'pic': True}
source_urls = ['http://faculty.cse.tamu.edu/davis/SuiteSparse']
sources = [SOURCE_TAR_GZ]
builddependencies = [('CMake', '3.13.1', '', True)]
dependencies = [('METIS', '5.1.0', '', True)]
prebuildopts = "export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:%(builddir)s/SuiteSparse/lib && "
parallel = 1
moduleclass = 'numlib'
# IT4Innovations 201c
easyblock = "PythonPackage"
name = 'six'
version = '1.12.0'
homepage = 'https://github.com/benjaminp/six'
description = 'Python 2 and 3 compatibility library.'
toolchain = {'name': 'Py', 'version': '2.7'}
source_urls = ['https://github.com/benjaminp/six/archive/']
sources = ['%(version)s.tar.gz']
sanity_check_paths = {
'files': [],
'dirs': ['lib/python2.7/site-packages/%(name)s-%(version)s-py2.7.egg'],
}
moduleclass = 'python'
# IT4Innovations 2019
name = 'Trilinos'
version = '12.12.1'
versionsuffix = '-Py-2.7'
homepage = 'https://trilinos.org'
description = """The Trilinos Project is an effort to develop algorithms and enabling technologies
within an object-oriented software framework for the solution of large-scale, complex multi-physics
engineering and scientific problems. A unique design feature of Trilinos is its focus on packages."""