mirror of
https://code.it4i.cz/sccs/easyconfigs-it4i.git
synced 2025-04-07 15:32:11 +01:00
new file: b/Boost/Boost-1.68.0-foss-2019a.eb
new file: g/GTK+/GTK+-3.24.8-GCCcore-8.2.0.eb new file: m/Meld/Meld-3.20.1-Python-3.7.2.eb new file: o/OpenMPI/OpenMPI-3.1.4-GCC-6.3.0-2.27.eb new file: r/RSPt/RSPTmake.inc new file: r/RSPt/RSPt-1.1-intel-2017c.eb new file: r/RSPt/RSPt-1.1-intel-2017c.patch new file: s/SPRKKR/SPRKKR-7.7.2-intel-2017c.eb new file: s/SPRKKR/SPRKKR-7.7.2-intel-2017c.patch deleted: p/PyGTK/PyGTK-2.24.0-Python-2.7.13.eb
This commit is contained in:
Josef Hrabal
parent
ba73636d81
commit
7d4d7de9b4
25
b/Boost/Boost-1.68.0-foss-2019a.eb
Normal file
25
b/Boost/Boost-1.68.0-foss-2019a.eb
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@ -0,0 +1,25 @@
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# IT4Innovations 2019
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name = 'Boost'
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version = '1.68.0'
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homepage = 'http://www.boost.org/'
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description = """Boost provides free peer-reviewed portable C++ source libraries."""
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toolchain = {'name': 'foss', 'version': '2019a'}
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toolchainopts = {'pic': True, 'usempi': True}
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source_urls = [SOURCEFORGE_SOURCE]
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sources = ['%%(namelower)s_%s.tar.gz' % '_'.join(version.split('.'))]
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dependencies = [
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('bzip2', '1.0.6', '', True),
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('zlib', '1.2.11', '', True),
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]
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configopts = '--without-libraries=python'
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# also build boost_mpi
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boost_mpi = True
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moduleclass = 'devel'
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50
g/GTK+/GTK+-3.24.8-GCCcore-8.2.0.eb
Normal file
50
g/GTK+/GTK+-3.24.8-GCCcore-8.2.0.eb
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@ -0,0 +1,50 @@
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# IT4Innovations 2019
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easyblock = 'ConfigureMake'
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name = 'GTK+'
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version = '3.24.8'
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homepage = 'https://developer.gnome.org/gtk+/stable/'
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description = """
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The GTK+ 2 package contains libraries used for creating graphical user interfaces for applications.
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"""
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toolchain = {'name': 'GCCcore', 'version': '8.2.0'}
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source_urls = [FTPGNOME_SOURCE]
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sources = [SOURCELOWER_TAR_XZ]
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checksums = ['666962de9b9768fe9ca785b0e2f42c8b9db3868a12fa9b356b167238d70ac799']
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builddependencies = [
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('binutils', '2.31.1'),
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('GObject-Introspection', '1.60.1', '-Python-3.7.2'),
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('gettext', '0.19.8.1'),
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('pkg-config', '0.29.2'),
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('cairo', '1.16.0'),
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('Perl', '5.28.1'),
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]
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dependencies = [
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('ATK', '2.32.0'),
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('at-spi2-atk', '2.32.0'),
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('Gdk-Pixbuf', '2.38.1'),
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('Pango', '1.43.0'),
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('libepoxy', '1.5.3'),
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('X11', '20190311'),
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('FriBidi', '1.0.5'),
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]
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configopts = "--disable-silent-rules --disable-glibtest --enable-introspection=yes --disable-visibility "
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sanity_check_paths = {
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'files': ['bin/gtk-update-icon-cache', 'lib/libgtk-%%(version_major)s.%s' % SHLIB_EXT],
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'dirs': ['include/gtk-%(version_major)s.0'],
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}
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modextrapaths = {
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'GI_TYPELIB_PATH': 'share',
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'XDG_DATA_DIRS': 'share',
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}
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moduleclass = 'vis'
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28
m/Meld/Meld-3.20.1-Python-3.7.2.eb
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28
m/Meld/Meld-3.20.1-Python-3.7.2.eb
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@ -0,0 +1,28 @@
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# IT4Innovations 2019
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easyblock = 'PythonPackage'
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name = 'Meld'
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version = '3.20.1'
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homepage = 'https://meldmerge.org/'
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description = """Meld is a visual diff and merge tool targeted at developers. Meld helps you compare files, directories, and version controlled projects. It provides two- and three-way comparison of both files and directories, and has support for many popular version control systems."""
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toolchain = {'name': 'GCCcore', 'version': '8.2.0'}
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source_urls = ['https://download.gnome.org/sources/meld/3.20/']
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sources = ['meld-%(version)s.tar.xz']
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dependencies = [
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('Python', '3.7.2'),
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('GTK+', '3.24.8'),
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('GLib', '2.60.1'),
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('cairo', '1.16.0'),
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('GObject-Introspection', '1.60.1', '-Python-3.7.2'),
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]
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sanity_check_paths = {'files': [], 'dirs': [
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'lib/python3.7/site-packages/meld'], }
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moduleclass = 'python'
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62
o/OpenMPI/OpenMPI-3.1.4-GCC-6.3.0-2.27.eb
Normal file
62
o/OpenMPI/OpenMPI-3.1.4-GCC-6.3.0-2.27.eb
Normal file
@ -0,0 +1,62 @@
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# IT4Innovations 2019
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easyblock = 'ConfigureMake'
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name = 'OpenMPI'
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version = '3.1.4'
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homepage = 'http://www.open-mpi.org/'
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description = """The Open MPI Project is an open source MPI-2 implementation."""
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toolchain = {'name': 'GCC', 'version': '6.3.0-2.27'}
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source_urls = [
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'http://www.open-mpi.org/software/ompi/v%(version_major_minor)s/downloads']
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sources = [SOURCELOWER_TAR_GZ]
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builddependencies = [
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('Java', '1.8.0_121', '', True)
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]
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dependencies = [
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('hwloc', '1.11.7'),
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('zlib', '1.2.11', '', True),
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('libxml2', '2.9.4', '', True),
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]
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configopts = '--enable-shared --enable-mpi-thread-multiple --with-verbs '
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# suppress failure modes in relation to mpirun path
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configopts += '--enable-mpirun-prefix-by-default '
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configopts += '--with-hwloc=$EBROOTHWLOC ' # hwloc support
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# configopts += '--disable-dlopen ' # dont disable dlopen!
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# https://github.com/open-mpi/ompi/issues/3630
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configopts += '--with-tm=/opt/pbs/default ' # Enable PBS
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configopts += '--enable-mpi-java ' # Java support RT#4090
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configopts += '--enable-mpi-cxx ' # Enable building the C++ MPI bindings
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# for PBS Pro 13
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preconfigopts = 'export LIBS="-ldl" && '
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# to enable SLURM integration (site-specific)
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# configopts += '--with-slurm --with-pmi=/usr/include/slurm --with-pmi-libdir=/usr'
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# needed for --with-verbs
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osdependencies = [('libibverbs-dev', 'libibverbs-devel', 'rdma-core-devel')]
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libs = ["mpi_mpifh", "mpi", "ompitrace", "open-pal", "open-rte"]
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sanity_check_paths = {
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'files': [
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"bin/%s" %
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binfile for binfile in [
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"ompi_info", "opal_wrapper", "orterun"]] + [
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"lib/lib%s.%s" %
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(libfile, SHLIB_EXT) for libfile in libs] + [
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"include/%s.h" %
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x for x in [
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"mpi-ext", "mpif-config", "mpif", "mpi", "mpi_portable_platform"]], 'dirs': [], }
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modextravars = {'OMPI_MCA_btl_openib_if_include': 'mlx4_0',
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'OMPI_MCA_oob_tcp_if_include': '10.0.0.0/8',
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}
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moduleclass = 'mpi'
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@ -1,56 +0,0 @@
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easyblock = 'ConfigureMake'
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name = 'PyGTK'
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version = '2.24.0'
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homepage = 'http://www.pygtk.org/'
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description = """PyGTK lets you to easily create programs with a graphical user interface
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using the Python programming language."""
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toolchain = {'name': 'dummy', 'version': ''}
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source_urls = [PYPI_SOURCE]
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sources = [SOURCELOWER_TAR_BZ2]
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#patches = ['pygtk-2.24.0.patch']
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pyver = '2.7.13'
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pyshortver = '.'.join(pyver.split('.')[:2])
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versionsuffix = '-Python-%s' % pyver
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glibver = '2.52.0'
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dependencies = [
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('Python', pyver),
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('GLib', glibver),
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('PyGObject', '2.28.6', versionsuffix),
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# ('GTK+', '2.24.28'),
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# ('ATK', '2.18.0'),
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('cairo', '1.14.12'),
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# ('libglade', '2.6.4'),
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]
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postinstallcmds = [
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"sed -i s#'codegendir=${datadir}'#codegendir=$EBROOTPYGOBJECT/share# %(installdir)s/lib/pkgconfig/pygtk-2.0.pc",
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"sed -i s#'exec_prefix=${prefix}'#exec_prefix=$EBROOTPYGOBJECT# %(installdir)s/bin/pygtk-codegen-2.0",
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]
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modextrapaths = {
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'PYTHONPATH': [
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'lib/python%s/site-packages' % pyshortver,
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'lib64/python%s/site-packages' % pyshortver,
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||||
'lib/python%s/site-packages/gtk-%%(version_major)s.0' % pyshortver,
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'lib64/python%s/site-packages/gtk-%%(version_major)s.0' % pyshortver,
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||||
],
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||||
}
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||||
sanity_check_paths = {
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'files': ['lib/pkgconfig/pygtk-%(version_major)s.0.pc'],
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'dirs': ['lib/pygtk'],
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||||
}
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||||
# sanity_check_commands = [
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# ('python', "-c 'import gtk'"),
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# ('python', "-c 'import gtk.glade'"),
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#]
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moduleclass = 'vis'
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||||
17
r/RSPt/RSPTmake.inc
Normal file
17
r/RSPt/RSPTmake.inc
Normal file
@ -0,0 +1,17 @@
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#RSPTautomake: ifort -DMPI
|
||||
#FORTRAN:
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||||
FCOMPILER = mpiifort
|
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F90COMPILER = mpiifort
|
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FCOMPILERFLAGS = -O2
|
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FCPPFLAGS = -DMPI
|
||||
FORTRANLIBS = -lifcore -lsvml -lirc -lifport -limf
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#C:
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CCOMPILER = mpiicc
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CCOMPILERFLAGS = -O2
|
||||
CPPFLAGS = -DMPI
|
||||
#LIBRARIES AND INCLUDE DIRECTORIES
|
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LAPACKLIB =
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BLASLIB = -lmkl_intel_lp64 -lmkl_sequential -lmkl_core
|
||||
FFTWLIB = -L/apps/all/FFTW/3.3.8-intel-2017c/lib -lfftw3
|
||||
#EXTRALIBS = -lmpi_f77 -lmpi_f90
|
||||
INCLUDEDIRS = -I/apps/all/FFTW/3.3.8-intel-2017c/lib/../include
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31
r/RSPt/RSPt-1.1-intel-2017c.eb
Normal file
31
r/RSPt/RSPt-1.1-intel-2017c.eb
Normal file
@ -0,0 +1,31 @@
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||||
# IT4Innovations 2019
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||||
|
||||
easyblock = 'MakeCp'
|
||||
|
||||
name = 'RSPt'
|
||||
version = '1.1'
|
||||
|
||||
homepage = 'http://www.physics.uu.se/research/materials-theory/ongoing-research/code-development/rspt-main/'
|
||||
description = """RSPt is a code for electronic structure calculations
|
||||
and its acronym stands for Relativistic Spin Polarized toolkit."""
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||||
|
||||
toolchain = {'name': 'intel', 'version': '2017c'}
|
||||
|
||||
sources = ['rspt-master.zip']
|
||||
|
||||
patches = ['RSPt-1.1-intel-2017c.patch']
|
||||
|
||||
dependencies = [
|
||||
('FFTW', '3.3.8'),
|
||||
]
|
||||
|
||||
maxparallel = 1
|
||||
|
||||
files_to_copy = ["bin", "documentation", "include", "lib", "testsuite"]
|
||||
|
||||
sanity_check_paths = {
|
||||
'files': ['bin/atan2of', 'lib/libjxwac.a'],
|
||||
'dirs': []
|
||||
}
|
||||
|
||||
moduleclass = 'phys'
|
||||
22
r/RSPt/RSPt-1.1-intel-2017c.patch
Normal file
22
r/RSPt/RSPt-1.1-intel-2017c.patch
Normal file
@ -0,0 +1,22 @@
|
||||
--- RSPTmakes/RSPTautomake/RSPTautomake.sh.orig 2019-08-09 13:45:12.038398676 +0200
|
||||
+++ RSPTmakes/RSPTautomake/RSPTautomake.sh 2019-08-09 13:48:37.184735110 +0200
|
||||
@@ -168,8 +168,8 @@
|
||||
echo "#RSPTautomake: " $FCOMPILER $FCPPFLAGS > ../../RSPTmake.inc
|
||||
if [ -n "$FCPPFLAGS" ]
|
||||
then
|
||||
- CCOMPILER="mpicc"
|
||||
- FCOMPILER="mpif90"
|
||||
+ CCOMPILER="mpiicc"
|
||||
+ FCOMPILER="mpiifort"
|
||||
fi
|
||||
echo "#FORTRAN:">> ../../RSPTmake.inc
|
||||
echo "FCOMPILER =" $FCOMPILER >> ../../RSPTmake.inc
|
||||
@@ -185,7 +185,7 @@
|
||||
echo "LAPACKLIB =" $LAPACKLIB >> ../../RSPTmake.inc
|
||||
echo "BLASLIB =" $BLASLIB >> ../../RSPTmake.inc
|
||||
echo "FFTWLIB =" $FFTWLIB >> ../../RSPTmake.inc
|
||||
- echo "EXTRALIBS =" $EXTRALIBS >> ../../RSPTmake.inc
|
||||
+# echo "EXTRALIBS =" $EXTRALIBS >> ../../RSPTmake.inc
|
||||
echo "INCLUDEDIRS =" $INCLUDEDIRS >> ../../RSPTmake.inc
|
||||
else
|
||||
echo "RSPTautomake failed to find a suitable FCOMPILER. Please load the appropriate modules and try again."
|
||||
36
s/SPRKKR/SPRKKR-7.7.2-intel-2017c.eb
Normal file
36
s/SPRKKR/SPRKKR-7.7.2-intel-2017c.eb
Normal file
@ -0,0 +1,36 @@
|
||||
# IT4Innovations 2019
|
||||
|
||||
easyblock = 'MakeCp'
|
||||
|
||||
name = 'SPRKKR'
|
||||
version = '7.7.2'
|
||||
|
||||
homepage = 'http://olymp.cup.uni-muenchen.de/index.php?option=com_content&view=article&id=8&catid=4&Itemid=7&lang=en'
|
||||
description = """The SPRKKR band structure package allows to calculate the electronic
|
||||
structure of arbitrary 3-D periodic systems, including systems with chemical disorder."""
|
||||
|
||||
toolchain = {'name': 'intel', 'version': '2017c'}
|
||||
|
||||
sources = ['SPRKKR7_7_2.zip']
|
||||
|
||||
patches = ['SPRKKR-7.7.2-intel-2017c.patch']
|
||||
|
||||
dependencies = [
|
||||
('git', '2.21.0', '', True),
|
||||
('dos2unix', '7.4.0', '', True),
|
||||
]
|
||||
|
||||
prebuildopts = "dos2unix gitstamp.sh && chmod +x gitstamp.sh && mkdir bin && "
|
||||
|
||||
buildopts = "allmpi"
|
||||
|
||||
maxparallel = 1
|
||||
|
||||
files_to_copy = ["bin"]
|
||||
|
||||
sanity_check_paths = {
|
||||
'files': ['bin/embgen7.7.2MPI', 'bin/kkrchi7.7.2MPI'],
|
||||
'dirs': []
|
||||
}
|
||||
|
||||
moduleclass = 'phys'
|
||||
75
s/SPRKKR/SPRKKR-7.7.2-intel-2017c.patch
Normal file
75
s/SPRKKR/SPRKKR-7.7.2-intel-2017c.patch
Normal file
@ -0,0 +1,75 @@
|
||||
--- make.inc.orig 2017-07-31 11:14:42.000000000 +0200
|
||||
+++ make.inc 2019-08-12 12:22:26.599183838 +0200
|
||||
@@ -2,7 +2,7 @@
|
||||
# Here the common makefile starts which does depend on the OS ####
|
||||
###############################################################################
|
||||
#
|
||||
-# FC: compiler name and common options e.g. f77 -c
|
||||
+# FC: compiler name and common options e.g. f77 -c
|
||||
# LINK: linker name and common options e.g. g77 -shared
|
||||
# FFLAGS: optimization e.g. -O3
|
||||
# OP0: force nooptimisation for some routiens e.g. -O0
|
||||
@@ -10,45 +10,48 @@
|
||||
# LIB: library names e.g. -L/usr/lib -latlas -lblas -llapack
|
||||
# (lapack and blas libraries are needed)
|
||||
# BUILD_TYPE: string "debug" switches on debugging options
|
||||
-# (NOTE: you may call, e.g. "make scf BUILD_TYPE=debug"
|
||||
+# (NOTE: you may call, e.g. "make scf BUILD_TYPE=debug"
|
||||
# to produce executable with debugging flags from command line)
|
||||
-# BIN: directory for executables
|
||||
+# BIN: directory for executables
|
||||
# INCLUDE: directory for include files
|
||||
-# (NOTE: directory with mpi include files has to be properly set
|
||||
+# (NOTE: directory with mpi include files has to be properly set
|
||||
# even for sequential executable)
|
||||
###############################################################################
|
||||
|
||||
-BUILD_TYPE ?=
|
||||
-BUILD_TYPE := debug
|
||||
+BUILD_TYPE ?=
|
||||
+#BUILD_TYPE := debug
|
||||
|
||||
-VERSION = 7.7.0
|
||||
+VERSION = 7.7.2
|
||||
|
||||
ifeq ($(BUILD_TYPE), debug)
|
||||
VERSION := $(VERSION)$(BUILD_TYPE)
|
||||
endif
|
||||
|
||||
#BIN = .
|
||||
- BIN=~/bin
|
||||
+ BIN=bin
|
||||
#BIN=/tmp/$(USER)
|
||||
|
||||
-LIB = $(LIB_MKL)
|
||||
+LIB = $(LIB_MKL)
|
||||
|
||||
-LIBMPI =
|
||||
+LIBMPI =
|
||||
|
||||
-# Include mpif.h
|
||||
-INCLUDE = -I/usr/lib/openmpi/include
|
||||
+# Include mpif.h
|
||||
+#INCLUDE = -I/apps/all/impi/2017.4.239-iccifort-2017.7.259-GCC-6.3.0-2.27/intel64/include
|
||||
|
||||
-OP0 =
|
||||
+OP0 =
|
||||
|
||||
ifeq ($(BUILD_TYPE), debug)
|
||||
FFLAGS = -O0 -check all -traceback -fpe0 -g -fp-stack-check -ftrapuv -CU
|
||||
else
|
||||
- FFLAGS = -O2 -axSSE4.2 -diag-disable remark
|
||||
+ FFLAGS = -O2 -xHost -diag-disable remark
|
||||
endif
|
||||
|
||||
+BLAS=-L$(EBROOTIMKL)/mkl/lib/intel64 -lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core -lpthread -liomp5
|
||||
|
||||
-FC = mpif90.openmpi -c -w $(FFLAGS) $(INCLUDE)
|
||||
-LINK = mpif90.openmpi $(FFLAGS) $(INCLUDE)
|
||||
+LAPACK=-L$(EBROOTIMKL)/mkl/lib/intel64 -lmkl_lapack
|
||||
+
|
||||
+FC = mpiifort -c -w $(FFLAGS) $(INCLUDE)
|
||||
+LINK = mpiifort $(FFLAGS) $(INCLUDE) $(BLAS) $(LAPACK)
|
||||
|
||||
MPI=MPI
|
||||
|
||||
Loading…
x
Reference in New Issue
Block a user