Commit 57275231 authored by Lukáš Krupčík's avatar Lukáš Krupčík
Browse files

Merge branch 'it4i-salomon'

parents e99e98f1 c2eeebc0
......@@ -4,28 +4,27 @@ easyblock = 'PythonPackage'
name = 'ASE'
version = '3.15.0'
versionsuffix = '-Python-%(pyver)s-base'
homepage = 'https://wiki.fysik.dtu.dk/ase/'
description = """ASE is a python package providing an open source Atomic Simulation Environment
in the Python scripting language."""
toolchain = {'name': 'dummy', 'version': ''}
toolchain = {'name': 'Py', 'version': '3.6'}
source_urls = [PYPI_LOWER_SOURCE]
sources = [SOURCELOWER_TAR_GZ]
checksums = ['5e22d961b1311ef4ba2d83527f7cc7448abac8cf9bddd1593bee548459263fe8']
dependencies = [
('Python', '2.6.2', '-base'),
('numpy', '1.13.3', versionsuffix),
('scipy', '1.0.0', versionsuffix),
('matplotlib', '2.1.1', versionsuffix),
('numpy', '1.13.3'),
('scipy', '1.0.0'),
('matplotlib', '2.1.1'),
('click', '6.7'),
]
sanity_check_paths = {
'files': ['bin/ase-build', 'bin/ase-db', 'bin/ase-gui', 'bin/ase-info', 'bin/ase-run'],
'dirs': ['lib/python%(pyshortver)s/site-packages'],
'dirs': ['lib/python3.6/site-packages'],
}
moduleclass = 'chem'
moduleclass = 'python'
# IT4Innovations 2018
easyblock = "PythonPackage"
name = 'BoltzTraP2'
version = '18.1.1'
homepage = 'https://www.imc.tuwien.ac.at/index.php?id=21094'
description = """BoltzTraP2 is a modern implementation of the smoothed Fourier
interpolation algorithm for electronic bands that formed the base of the original
and widely used BoltzTraP code."""
toolchain = {'name': 'Py', 'version': '3.6'}
source_urls = ['https://pypi.python.org/packages/1f/03/9a93c7cbaead26dd82c3598696d57a590bc435e619e364fa71eaa0437aa5']
sources = ['BoltzTraP2-%(version)s.tar.gz']
dependencies = [
('numpy', '1.13.3'),
('scipy', '1.0.0'),
('matplotlib', '2.1.1'),
('spglib-python', '1.10.2.4'),
('ASE', '3.15.0'),
]
builddependencies = [
('GCC', '6.3.0-2.27', '', True),
('CMake', '3.9.1', '', True),
]
options = {'modulename': 'BoltzTraP2'}
sanity_check_paths = {
'files': [],
'dirs': ['lib/python3.6/site-packages/%(name)s-%(version)s-py3.6-linux-x86_64.egg/%(name)s'],
}
moduleclass = 'python'
# IT4Innovations 2018
easyblock = "PythonPackage"
name = 'click'
version = '6.7'
homepage = 'https://pypi.python.org/pypi/click'
description = 'A simple wrapper around optparse for powerful command line utilities.'
toolchain = {'name': 'Py', 'version': '3.6'}
source_urls = [PYPI_SOURCE]
sources = [SOURCE_TAR_GZ]
sanity_check_paths = {
'files': [],
'dirs': ['lib/python3.6/site-packages/%(name)s-%(version)s-py3.6.egg'],
}
moduleclass = 'python'
# IT4Innovations 2018
easyblock = "PythonPackage"
name = 'cycler'
version = '0.10.0'
homepage = 'https://matplotlib.org/cycler'
description = 'Composable style cycles.'
toolchain = {'name': 'Py', 'version': '3.6'}
source_urls = ['https://github.com/matplotlib/cycler/archive']
sources = ['v%(version)s.tar.gz']
dependencies = [
('six', '1.11.0'),
]
sanity_check_paths = {
'files': ['lib/python3.6/site-packages/%(name)s-%(version)s-py3.6.egg'],
'dirs': [],
}
moduleclass = 'python'
# IT4Innovations 2018
easyblock = "PythonPackage"
name = 'Flask'
version = '0.12.2'
homepage = 'https://pypi.python.org/pypi/flask'
description = 'A microframework based on Werkzeug, Jinja2 and good intentions.'
toolchain = {'name': 'Py', 'version': '3.6'}
source_urls = [PYPI_SOURCE]
sources = [SOURCE_TAR_GZ]
dependencies = [
('click', '6.7'),
('Jinja2', '2.10'),
('MarkupSafe', '1.0'),
('itsdangerous', '0.24'),
('Werkzeug', '0.14.1'),
]
sanity_check_paths = {
'files': [],
'dirs': ['lib/python3.6/site-packages/%(name)s-%(version)s-py3.6.egg'],
}
moduleclass = 'python'
name = 'icc'
version = '2017.4.196'
homepage = 'http://software.intel.com/en-us/intel-compilers/'
description = "Intel C and C++ compilers"
toolchain = {'name': 'dummy', 'version': ''}
sources = ['parallel_studio_xe_%(version_major)s_update%(version_minor)s_composer_edition_for_cpp.tgz']
checksums = ['6b9b57dada0ec68e394866ec0a8b162c9233de18a7a6dd2dcc956d335e06acbc']
gccver = '6.3.0'
binutilsver = '2.27'
versionsuffix = '-GCC-%s-%s' % (gccver, binutilsver)
dependencies = [
('GCCcore', gccver),
('binutils', binutilsver, '', ('GCCcore', gccver)),
]
# list of regex for components to install
# full list of components can be obtained from pset/mediaconfig.xml in unpacked sources
# cfr. https://software.intel.com/en-us/articles/intel-composer-xe-2015-silent-installation-guide
components = ['intel-comp', 'intel-ccomp', 'intel-icc', 'intel-openmp', 'intel-ipsc?_', 'intel-gdb', 'intel-gdb(?!.*mic)']
dontcreateinstalldir = 'True'
license_file = '/apps/licenses/intel/license.lic'
moduleclass = 'compiler'
easyblock = 'Toolchain'
name = 'iccifort'
version = '2017.4.196'
versionsuffix = '-GCC-6.3.0-2.27'
homepage = 'http://software.intel.com/en-us/intel-cluster-toolkit-compiler/'
description = "Intel C, C++ & Fortran compilers"
toolchain = {'name': 'dummy', 'version': ''}
dependencies = [
('icc', version, versionsuffix),
('ifort', version, versionsuffix),
]
moduleclass = 'toolchain'
name = 'ifort'
version = '2017.4.196'
homepage = 'http://software.intel.com/en-us/intel-compilers/'
description = "Intel Fortran compiler"
toolchain = {'name': 'dummy', 'version': ''}
sources = ['parallel_studio_xe_%(version_major)s_update%(version_minor)s_composer_edition_for_fortran.tgz']
checksums = ['0b6a222e015f776600b12b17c19506249c9e7691a8d287f44cd40a66ca9ac749']
# remove dependency on intel-mpi-rt-mic
patches = ['ifort_2017_no_mpi_mic_dependency.patch']
gccver = '6.3.0'
binutilsver = '2.27'
versionsuffix = '-GCC-%s-%s' % (gccver, binutilsver)
dependencies = [
('GCCcore', gccver),
('binutils', binutilsver, '', ('GCCcore', gccver)),
]
# list of regex for components to install
# full list of components can be obtained from pset/mediaconfig.xml in unpacked sources
# cfr. https://software.intel.com/en-us/articles/intel-composer-xe-2015-silent-installation-guide
components = ['intel-comp', 'intel-fcomp', 'intel-ifort', 'intel-openmp', 'intel-ipsf?_', 'intel-gdb']
dontcreateinstalldir = 'True'
license_file = '/apps/licenses/intel/license.lic'
moduleclass = 'compiler'
......@@ -9,7 +9,7 @@ description = """Intel C/C++ and Fortran compilers, alongside Intel MPI."""
toolchain = {'name': 'dummy', 'version': ''}
compver = '2017.4.196'
suff = '-GCC-6.4.0-2.28'
suff = '-GCC-6.3.0-2.27'
dependencies = [
('icc', compver, suff),
('ifort', compver, suff),
......
......@@ -4,7 +4,7 @@ version = '2017.3.196'
homepage = 'http://software.intel.com/en-us/intel-mpi-library/'
description = "Intel MPI Library, compatible with MPICH ABI"
toolchain = {'name': 'iccifort', 'version': '2017.4.196-GCC-6.4.0-2.28'}
toolchain = {'name': 'iccifort', 'version': '2017.4.196-GCC-6.3.0-2.27'}
sources = ['l_mpi_%(version)s.tgz']
......@@ -15,7 +15,7 @@ dontcreateinstalldir = 'True'
components = ['intel-mpi', 'intel-psxe', 'intel-imb']
# set up all the mpi commands to default to intel compilers
# set_mpi_wrappers_all = 'True'
set_mpi_wrappers_all = 'True'
postinstallcmds = [
'ln -s %(installdir)s/lib64/libmpi.so %(installdir)s/lib64/libmpich.so',
......
......@@ -9,8 +9,8 @@ description = "Compiler toolchain including Intel compilers, Intel MPI and Intel
toolchain = {'name': 'dummy', 'version': ''}
compver = '2017.4.196'
gccver = '6.4.0'
binutilsver = '2.28'
gccver = '6.3.0'
binutilsver = '2.27'
gccsuff = '-GCC-%s-%s' % (gccver, binutilsver)
dependencies = [
('GCCcore', gccver),
......
# IT4Innovations 2018
easyblock = "PythonPackage"
name = 'itsdangerous'
version = '0.24'
homepage = 'https://pypi.python.org/pypi/itsdangerous'
description = 'Various helpers to pass trusted data to untrusted environments and back.'
toolchain = {'name': 'Py', 'version': '3.6'}
source_urls = [PYPI_SOURCE]
sources = [SOURCE_TAR_GZ]
sanity_check_paths = {
'files': [],
'dirs': ['lib/python3.6/site-packages/%(name)s-%(version)s-py3.6.egg'],
}
moduleclass = 'python'
# IT4Innovations 2018
easyblock = "PythonPackage"
name = 'Jinja2'
version = '2.10'
homepage = 'https://pypi.python.org/pypi/jinja'
description = 'A small but fast and easy to use stand-alone template engine written in pure python.'
toolchain = {'name': 'Py', 'version': '3.6'}
source_urls = [PYPI_SOURCE]
sources = [SOURCE_TAR_GZ]
dependencies = [
('MarkupSafe', '1.0'),
]
sanity_check_paths = {
'files': [],
'dirs': ['lib/python3.6/site-packages/%(name)s-%(version)s-py3.6.egg'],
}
moduleclass = 'python'
# IT4Innovations 2018
easyblock = "PythonPackage"
name = 'MarkupSafe'
version = '1.0'
homepage = 'https://pypi.python.org/pypi/markupsafe'
description = 'Implements a XML/HTML/XHTML Markup safe string for Python.'
toolchain = {'name': 'Py', 'version': '3.6'}
source_urls = [PYPI_SOURCE]
sources = [SOURCE_TAR_GZ]
sanity_check_paths = {
'files': [],
'dirs': ['lib/python3.6/site-packages/%(name)s-%(version)s-py3.6-linux-x86_64.egg'],
}
moduleclass = 'python'
......@@ -3,26 +3,24 @@
easyblock = "PythonPackage"
name = 'matplotlib'
version = '2.1.1'
versionsuffix = "-Python-%(pyver)s-base"
homepage = 'http://matplotlib.org'
description = """Matplotlib is a python 2D plotting library which produces publication quality figures in a variety of
hardcopy formats and interactive environments across platforms. matplotlib can be used in python scripts, the python
and ipython shell, web application servers, and six graphical user interface toolkits."""
toolchain = {'name': 'dummy', 'version': ''}
toolchain = {'name': 'Py', 'version': '3.6'}
source_urls = ['https://github.com/matplotlib/matplotlib/archive/']
sources = ['v%(version)s.tar.gz']
dependencies = [
('Python', '3.6.2', '-base'),
('freetype', '2.8'),
('libpng', '1.6.29'),
('python-dateutil', '2.6.1', versionsuffix),
('numpy', '1.13.3', versionsuffix),
('pyparsing', '2.2.0', versionsuffix),
('six', '1.11.0', versionsuffix),
('freetype', '2.8', '', True),
('libpng', '1.6.29', '', True),
('python-dateutil', '2.6.1'),
('numpy', '1.13.3'),
('pyparsing', '2.2.0'),
('six', '1.11.0'),
]
sanity_check_paths = {
......@@ -30,4 +28,4 @@ sanity_check_paths = {
'dirs': ['lib/python3.6/site-packages/%(name)s-%(version)s-py3.6-linux-x86_64.egg/%(name)s'],
}
moduleclass = 'vis'
moduleclass = 'python'
......@@ -4,28 +4,20 @@ easyblock = 'PythonPackage'
name = 'numpy'
version = '1.13.3'
versionsuffix = '-Python-%(pyver)s-base'
homepage = 'http://www.numpy.org'
description = """NumPy is the fundamental package needed for scientific computing with Python."""
toolchain = {'name': 'dummy', 'version': ''}
toolchain = {'name': 'Py', 'version': '3.6'}
source_urls = ['https://github.com/numpy/numpy/releases/download/v%(version)s']
sources = ['%(name)s-%(version)s.tar.gz']
dependencies = [
('Python', '3.6.2', '-base'),
]
#use_pip = True
#unpack_sources = False
sanity_check_paths = {
'files': [],
'dirs': ['lib/python%(pyshortver)s/site-packages/numpy-1.13.3-py3.6-linux-x86_64.egg/numpy'],
'dirs': ['lib/python3.6/site-packages/numpy-%(version)s-py3.6-linux-x86_64.egg/numpy'],
}
sanity_check_commands = [('python', '-c "import numpy; assert(numpy.__version__ == \'%(version)s\')"')]
moduleclass = 'math'
moduleclass = 'python'
# IT4Innovations 2018
easyblock = "Toolchain"
name = 'Py'
version = '2.7'
homepage = 'https://www.python.org'
description = """Python 2.7 toolchain"""
toolchain = {'name': 'dummy', 'version': 'dummy'}
dependencies = [
('Python', '2.7.14', '-base'),
]
moduleclass = 'toolchain'
# IT4Innovations 2018
easyblock = "Toolchain"
name = 'Py'
version = '3.6'
homepage = 'https://www.python.org'
description = """Python 3.6 toolchain"""
toolchain = {'name': 'dummy', 'version': 'dummy'}
dependencies = [
('Python', '3.6.4', '-base'),
]
moduleclass = 'toolchain'
# IT4Innovations 2018
easyblock = "EB_Python"
name = 'Python'
version = '2.7.14'
versionsuffix = '-base'
homepage = 'http://python.org/'
description = "Python is a programming language that lets you work more quickly and integrate your systems more effectively."
toolchain = {'name': 'dummy', 'version': ''}
toolchainopts = {'pic': True, 'opt': True, 'optarch': True}
source_urls = ['http://www.python.org/ftp/%(namelower)s/%(version)s/']
sources = [SOURCE_TGZ]
dependencies = [
('bzip2', '1.0.6'),
('zlib', '1.2.11'),
('libreadline', '7.0'),
('ncurses', '6.0'),
('SQLite', '3.17.0'),
('Tk', '8.6.6'),
]
osdependencies = [('openssl-devel', 'libssl-dev', 'libopenssl-devel')]
#buildopts = 'CPPFLAGS="-I/apps/all/bzip2/1.0.6/include -I/apps/all/zlib/1.2.8/include -I/apps/all/ncurses/5.9/include -I/apps/all/SQLite/3.8.8.1/include" LDFLAGS="-L/apps/all/bzip2/1.0.6/lib -L/apps/all/zlib/1.2.8/lib -L/apps/all/ncurses/5.9/lib -L/apps/all/SQLite/3.8.8.1/lib:$CPPFLAGS"'
exts_list = [
('setuptools', '36.0.1', {
'source_urls': ['https://pypi.python.org/packages/source/s/setuptools/'],
'source_tmpl': '%(name)s-%(version)s.zip',
}),
('pip', '9.0.1', {
'source_urls': ['http://pypi.python.org/packages/source/p/pip/'],
}),
('nose', '1.3.7', {
'source_urls': ['http://pypi.python.org/packages/source/n/nose/'],
}),
]
moduleclass = 'lang'
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