new file: l/Lmod/Lmod-8.1.6.eb

new file:   l/libMesh/libMesh-1.3.0-intel-2017c.eb
	new file:   p/Perl/Perl-5.28.1-GCC-6.3.0-2.27.eb
	new file:   p/PostgreSQL/PostgreSQL-11.3-Py-2.7.eb
	new file:   p/phonopy/phonopy-2.1.3-Py-3.6.eb
	new file:   s/scipy/scipy-1.3.0-Py-3.6.eb
	modified:   x/XCrySDen/XCrySDen-1.5.60-intel-2017a.eb
This commit is contained in:
Easy Build 2019-06-18 12:47:49 +02:00
parent 81d1c2e6bb
commit 89d06ec87f
7 changed files with 1674 additions and 2 deletions

34
l/Lmod/Lmod-8.1.6.eb Normal file
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# IT4Innovations 2019
easyblock = 'ConfigureMake'
name = "Lmod"
version = "8.1.6"
homepage = "http://sourceforge.net/projects/lmod/"
description = """Lmod is a Lua based module system. Modules allow for dynamic modification
of a user's environment under Unix systems. See www.tacc.utexas.edu/tacc-projects/lmod
for a complete description. Lmod is a new implementation that easily handles the MODULEPATH
Hierarchical problem. It is drop-in replacement for TCL/C modules and reads TCL modulefiles directly."""
toolchain = {'name': 'dummy', 'version': ''}
sources = ['%(version)s.tar.gz']
source_urls = [
'https://github.com/TACC/Lmod/archive',
'http://sourceforge.net/projects/lmod/files/',
'http://sourceforge.net/projects/lmod/files/Testing'
]
dependencies = [
("Lua", "5.1.4-8"),
("Tcl", "8.6.9")
]
sanity_check_paths = {
'files': [
"lmod/%(version)s/libexec/lmod",
"lmod/%(version)s/init/profile"],
'dirs': []}
moduleclass = "tools"

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@ -0,0 +1,35 @@
# IT4Innovations 2019
easyblock = 'ConfigureMake'
name = 'libMesh'
version = '1.3.0'
homepage = 'http://libmesh.github.io/'
description = """The libMesh library provides a framework for the numerical simulation of partial differential equations
using arbitrary unstructured discretizations on serial and parallel platforms. A major goal of the library is to
provide support for adaptive mesh refinement (AMR) computations in parallel while allowing a research scientist
to focus on the physics they are modeling."""
toolchain = {'name': 'intel', 'version': '2017c'}
toolchainopts = {'pic': True, 'usempi': True}
source_urls = [
'https://github.com/libMesh/libmesh/releases/download/v%(version)s/',
]
sources = [SOURCELOWER_TAR_GZ]
configopts = "--with-parmetis"
dependencies = [
('ParMETIS', '4.0.3'),
('Boost', '1.68.0'),
]
sanity_check_paths = {
'files': ['bin/meshtool-opt'],
'dirs': ['bin'],
}
moduleclass = 'lib'

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# IT4Innovations 2019
easyblock = 'ConfigureMake'
name = 'PostgreSQL'
version = '11.3'
homepage = 'http://www.mysql.com/'
description = """PostgreSQL is a powerful, open source object-relational database system.
It is fully ACID compliant, has full support for foreign keys,
joins, views, triggers, and stored procedures (in multiple languages).
It includes most SQL:2008 data types, including INTEGER,
NUMERIC, BOOLEAN, CHAR, VARCHAR, DATE, INTERVAL, and TIMESTAMP.
It also supports storage of binary large objects, including pictures,
sounds, or video. It has native programming interfaces for C/C++, Java,
.Net, Perl, Python, Ruby, Tcl, ODBC, among others, and exceptional documentation."""
source_urls = ['http://ftp.postgresql.org/pub/source/v%(version)s/']
sources = [SOURCELOWER_TAR_GZ]
toolchain = {'name': 'Py', 'version': '2.7'}
osdependencies = [('openssl-devel', 'libssl-dev')]
dependencies = [
('libreadline', '8.0', '', True),
('zlib', '1.2.11', '', True),
]
builddependencies = [
('Bison', '3.0.5', '', True),
('flex', '2.6.4', '', True),
('Perl', '5.28.1', '-GCC-6.3.0-2.27', True),
]
configopts = '--with-python --with-openssl --disable-thread-safety'
sanity_check_paths = {
'files': [
'bin/psql',
'bin/pg_config',
'lib/libpq.a',
'lib/libpq.%s' %
SHLIB_EXT],
'dirs': ['share/postgresql'],
}
moduleclass = 'data'

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# IT4Innovations 2019
easyblock = 'PythonPackage'
name = 'phonopy'
version = '2.1.3'
homepage = 'https://atztogo.github.io/phonopy'
description = """Phonopy is an open source package of phonon calculations based on the supercell approach."""
toolchain = {'name': 'Py', 'version': '3.6'}
source_urls = [PYPI_SOURCE]
sources = [SOURCE_TAR_GZ]
dependencies = [
('matplotlib', '3.0.2'),
('lxml', '4.3.0'),
('PyYAML', '3.13'),
('numpy', '1.16.3'),
('h5py', '2.9.0'),
('scipy', '1.3.0')
]
moduleclass = 'python'

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# IT4Innovations 2019
easyblock = 'PythonPackage'
name = 'scipy'
version = '1.3.0'
homepage = 'http://scipy.org'
description = """SciPy (pronounced 'Sigh Pie') is open-source software for mathematics, science, and engineering.
It includes modules for statistics, optimization, integration, linear algebra, Fourier transforms, signal and
image processing, ODE solvers, and more."""
toolchain = {'name': 'Py', 'version': '3.6'}
toolchainopts = {'pic': True}
source_urls = [PYPI_SOURCE]
sources = [SOURCELOWER_TAR_GZ]
dependencies = [
('numpy', '1.16.3'),
('mkl', '2017.4.239', '', True),
]
prebuildopts = 'unset LDFLAGS && '
sanity_check_paths = {'files': [], 'dirs': [
'lib/python3.6/site-packages/%(name)s-%(version)s-py3.6-linux-x86_64.egg/scipy'], }
sanity_check_commands = [
('python', '-c "import scipy; assert(scipy.__version__ == \'%(version)s\')"')]
moduleclass = 'python'

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@ -14,8 +14,6 @@ toolchain = {'name': 'intel', 'version': '2017c'}
source_urls = ["http://www.xcrysden.org/download/"]
sources = [SOURCELOWER_TAR_GZ]
patches = ['XCrySDen_no-bwidget.patch']
dependencies = [
('Tcl', '8.5.19', '', True),
('Tk', '8.5.19', '', True),