mirror of
https://code.it4i.cz/sccs/easyconfigs-it4i.git
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new file: c/CGAL/CGAL-5.2-gompi-2020b.eb
new file: c/CGAL/CGAL-5.2-iimpi-2020b.eb new file: g/gnuplot/gnuplot-5.4.1-GCCcore-10.2.0.eb new file: h/HDF5/HDF5-1.10.7-iimpi-2020b.eb new file: m/Mako/Mako-1.1.3-GCCcore-10.2.0.eb modified: o/OpenFOAM/OpenFOAM-v2106-foss-2020b.eb new file: o/OpenFOAM/OpenFOAM-v2106-intel-2020b.eb new file: p/ParaView/ParaView-5.9.1-intel-2020b-mpi.eb new file: q/Qt5/Qt5-5.14.2-GCCcore-10.2.0.eb new file: s/SciPy-bundle/SciPy-bundle-2020.11-intel-2020b.eb modified: s/SciPy-bundle/SciPy-bundle-2021.05-intel-2020b.eb
This commit is contained in:
Lukas Krupcik
parent
8827a2bbfa
commit
8db463ed41
c/CGAL
g/gnuplot
h/HDF5
m/Mako
o/OpenFOAM
p/ParaView
q/Qt5
s/SciPy-bundle
41
c/CGAL/CGAL-5.2-gompi-2020b.eb
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41
c/CGAL/CGAL-5.2-gompi-2020b.eb
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@ -0,0 +1,41 @@
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# IT4Innovtions
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# LK 2021
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name = 'CGAL'
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version = '5.2'
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homepage = 'https://www.cgal.org/'
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description = """The goal of the CGAL Open Source Project is to provide easy access to efficient
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and reliable geometric algorithms in the form of a C++ library."""
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toolchain = {'name': 'gompi', 'version': '2020b'}
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toolchainopts = {'strict': True}
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source_urls = ['https://github.com/CGAL/cgal/releases/download/v%(version)s/']
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sources = [SOURCE_TAR_XZ]
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checksums = ['744c86edb6e020ab0238f95ffeb9cf8363d98cde17ebb897d3ea93dac4145923']
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builddependencies = [
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('CMake', '3.18.4'),
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('Eigen', '3.3.8'),
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]
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dependencies = [
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('zlib', '1.2.11'),
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('Python', '3.8.6'),
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('Boost', '1.74.0'),
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('MPFR', '4.1.0'),
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('GMP', '6.2.0'),
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('Mesa', '20.2.1'),
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('libGLU', '9.0.1'),
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('Qt5', '5.14.2'),
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]
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configopts = "-DCGAL_HEADER_ONLY=OFF "
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configopts += "-DOPENGL_INCLUDE_DIR=$EBROOTMESA/include\;$EBROOTLIBGLU/include "
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configopts += "-DOPENGL_gl_LIBRARY=$EBROOTMESA/lib/libGL.%s " % SHLIB_EXT
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configopts += "-DOPENGL_glu_LIBRARY=$EBROOTLIBGLU/lib/libGLU.%s " % SHLIB_EXT
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configopts += "-DWITH_ZLIB=ON -DWITH_MPFR=ON -DWITH_OpenGL=ON -DWITH_Eigen3=ON "
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configopts += "-DWITH_GMPXX=ON -DWITH_LAPACK=ON -DWITH_BLAS=ON "
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moduleclass = 'numlib'
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41
c/CGAL/CGAL-5.2-iimpi-2020b.eb
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41
c/CGAL/CGAL-5.2-iimpi-2020b.eb
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@ -0,0 +1,41 @@
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# IT4Innovtions
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# LK 2021
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name = 'CGAL'
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version = '5.2'
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homepage = 'https://www.cgal.org/'
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description = """The goal of the CGAL Open Source Project is to provide easy access to efficient
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and reliable geometric algorithms in the form of a C++ library."""
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toolchain = {'name': 'iimpi', 'version': '2020b'}
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toolchainopts = {'strict': True}
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source_urls = ['https://github.com/CGAL/cgal/releases/download/v%(version)s/']
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sources = [SOURCE_TAR_XZ]
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checksums = ['744c86edb6e020ab0238f95ffeb9cf8363d98cde17ebb897d3ea93dac4145923']
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builddependencies = [
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('CMake', '3.18.4'),
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('Eigen', '3.3.8'),
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]
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dependencies = [
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('zlib', '1.2.11'),
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('Python', '3.8.6'),
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('Boost', '1.74.0'),
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('MPFR', '4.1.0'),
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('GMP', '6.2.0'),
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('Mesa', '20.2.1'),
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('libGLU', '9.0.1'),
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('Qt5', '5.14.2'),
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]
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configopts = "-DCGAL_HEADER_ONLY=OFF "
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configopts += "-DOPENGL_INCLUDE_DIR=$EBROOTMESA/include\;$EBROOTLIBGLU/include "
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configopts += "-DOPENGL_gl_LIBRARY=$EBROOTMESA/lib/libGL.%s " % SHLIB_EXT
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configopts += "-DOPENGL_glu_LIBRARY=$EBROOTLIBGLU/lib/libGLU.%s " % SHLIB_EXT
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configopts += "-DWITH_ZLIB=ON -DWITH_MPFR=ON -DWITH_OpenGL=ON -DWITH_Eigen3=ON "
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configopts += "-DWITH_GMPXX=ON -DWITH_LAPACK=ON -DWITH_BLAS=ON "
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moduleclass = 'numlib'
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48
g/gnuplot/gnuplot-5.4.1-GCCcore-10.2.0.eb
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48
g/gnuplot/gnuplot-5.4.1-GCCcore-10.2.0.eb
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@ -0,0 +1,48 @@
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# IT4Innovations
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# # LK 2021
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easyblock = 'ConfigureMake'
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name = 'gnuplot'
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version = '5.4.1'
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homepage = 'http://gnuplot.sourceforge.net/'
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description = """Portable interactive, function plotting utility"""
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toolchain = {'name': 'GCCcore', 'version': '10.2.0'}
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source_urls = [('https://sourceforge.net/projects/gnuplot/files/gnuplot/%(version)s', 'download')]
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sources = [SOURCE_TAR_GZ]
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checksums = ['6b690485567eaeb938c26936e5e0681cf70c856d273cc2c45fabf64d8bc6590e']
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builddependencies = [
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('binutils', '2.35'),
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('pkg-config', '0.29.2'),
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('Autotools', '20200321'),
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]
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dependencies = [
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('ncurses', '6.2'),
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('cairo', '1.16.0'),
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('libjpeg-turbo', '2.0.5'),
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('libpng', '1.6.37'),
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('libgd', '2.3.0'),
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('Pango', '1.47.0'),
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('libcerf', '1.14'),
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('X11', '20201008'),
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('Qt5', '5.14.2'),
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('Lua', '5.4.2'),
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]
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preconfigopts = 'autoreconf && '
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configopts = '--with-qt=qt5 --without-latex '
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sanity_check_paths = {
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'files': ['bin/gnuplot'],
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'dirs': []
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}
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# make sure that pdf terminal type is available
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sanity_check_commands = ["gnuplot -e 'set terminal pdf'"]
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moduleclass = 'vis'
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29
h/HDF5/HDF5-1.10.7-iimpi-2020b.eb
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29
h/HDF5/HDF5-1.10.7-iimpi-2020b.eb
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@ -0,0 +1,29 @@
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# IT4Innovations
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# LK 2021
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name = 'HDF5'
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version = '1.10.7'
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homepage = 'https://portal.hdfgroup.org/display/support'
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description = """HDF5 is a data model, library, and file format for storing and managing data.
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It supports an unlimited variety of datatypes, and is designed for flexible
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and efficient I/O and for high volume and complex data."""
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toolchain = {'name': 'iimpi', 'version': '2020b'}
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toolchainopts = {'pic': True, 'usempi': True}
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source_urls = ['https://support.hdfgroup.org/ftp/HDF5/releases/hdf5-%(version_major_minor)s/hdf5-%(version)s/src']
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sources = [SOURCELOWER_TAR_GZ]
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checksums = ['7a1a0a54371275ce2dfc5cd093775bb025c365846512961e7e5ceaecb437ef15']
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# AMD/intel cpu
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import os
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if os.environ.get("CLUSTERNAME") in ["KAROLINA"]:
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prebuildopts = "echo %(builddir)s && while read i; do echo $i; sed 's|-xHost|-march=core-avx2|g' -i $i; done < <(grep xHost %(builddir)s -R | cut -d ':' -f 1 | sort -u) && "
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dependencies = [
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('zlib', '1.2.11'),
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('Szip', '2.1.1'),
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]
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moduleclass = 'data'
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29
m/Mako/Mako-1.1.3-GCCcore-10.2.0.eb
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29
m/Mako/Mako-1.1.3-GCCcore-10.2.0.eb
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@ -0,0 +1,29 @@
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# IT4Innovations
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# LK 2021
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easyblock = 'PythonPackage'
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name = 'Mako'
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version = '1.1.3'
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homepage = 'https://www.makotemplates.org'
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description = """A super-fast templating language that borrows the best ideas from the existing templating languages"""
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toolchain = {'name': 'GCCcore', 'version': '10.2.0'}
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sources = [SOURCE_TAR_GZ]
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checksums = ['8195c8c1400ceb53496064314c6736719c6f25e7479cd24c77be3d9361cddc27']
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download_dep_fail = True
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use_pip = True
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sanity_pip_check = True
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builddependencies = [('binutils', '2.35')]
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multi_deps = {'Python': ['3.8.6']}
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sanity_check_paths = {
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'files': ['bin/mako-render'],
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'dirs': ['lib/python%(pyshortver)s/site-packages/%(namelower)s'],
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}
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moduleclass = 'devel'
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@ -31,9 +31,9 @@ dependencies = [
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# OpenFOAM requires 64 bit METIS using 32 bit indexes (array indexes)
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('METIS', '5.1.0'),
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('SCOTCH', '6.1.0'),
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('CGAL', '3.2.1'),
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('CGAL', '5.2'),
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('ParaView', '5.9.1', '-mpi'),
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('gnuplot', '5.4.2'),
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('gnuplot', '5.4.1'),
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]
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builddependencies = [
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45
o/OpenFOAM/OpenFOAM-v2106-intel-2020b.eb
Normal file
45
o/OpenFOAM/OpenFOAM-v2106-intel-2020b.eb
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@ -0,0 +1,45 @@
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# IT4Innovations
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# LK 2021
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name = 'OpenFOAM'
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version = 'v2106'
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homepage = 'https://www.openfoam.com/'
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description = """OpenFOAM is a free, open source CFD software package.
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OpenFOAM has an extensive range of features to solve anything from complex fluid flows
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involving chemical reactions, turbulence and heat transfer,
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to solid dynamics and electromagnetics."""
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toolchain = {'name': 'intel', 'version': '2020b'}
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toolchainopts = {'cstd': 'c++11'}
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source_urls = ['https://sourceforge.net/projects/openfoam/files/%(version)s/']
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sources = [SOURCE_TGZ]
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patches = [
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('OpenFOAM-v2012-cleanup.patch', 1),
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'OpenFOAM-v1906-wmake-ompi.patch',
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]
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checksums = [
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'11e41e5b9a253ef592a8f6b79f6aded623b28308192d02cec1327078523b5a37', # OpenFOAM-v2106.tgz
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'cdd2597a1ac1448e9bd33a364a8dfe17f51cc9ab5a8e0ab67cf92bba3ed9da43', # OpenFOAM-v2012-cleanup.patch
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'518e27683c5c41400cfbc17b31effa50b31b25916dccbf85b18b0b955f642505', # OpenFOAM-v1906-wmake-ompi.patch
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]
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dependencies = [
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('libreadline', '8.0'),
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('ncurses', '6.2'),
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# OpenFOAM requires 64 bit METIS using 32 bit indexes (array indexes)
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('METIS', '5.1.0'),
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('SCOTCH', '6.1.0'),
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('CGAL', '5.2'),
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('ParaView', '5.9.1', '-mpi'),
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('gnuplot', '5.4.1'),
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]
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builddependencies = [
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('Bison', '3.7.1'),
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('CMake', '3.18.4'),
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('flex', '2.6.4'),
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]
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moduleclass = 'cae'
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60
p/ParaView/ParaView-5.9.1-intel-2020b-mpi.eb
Normal file
60
p/ParaView/ParaView-5.9.1-intel-2020b-mpi.eb
Normal file
@ -0,0 +1,60 @@
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# IT4Innovations
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# LK 2021
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easyblock = 'CMakeMake'
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name = 'ParaView'
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version = '5.9.1'
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versionsuffix = '-mpi'
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homepage = "https://www.paraview.org"
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description = "ParaView is a scientific parallel visualizer."
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toolchain = {'name': 'intel', 'version': '2020b'}
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toolchainopts = {'pic': True, 'usempi': True}
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local_download_suffix = 'download.php?submit=Download&version=v%(version_major_minor)s&type=source&os=all&downloadFile='
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source_urls = ['https://www.paraview.org/paraview-downloads/%s' % local_download_suffix]
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sources = ["%(name)s-v%(version)s.tar.gz"]
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checksums = ['efbcba00ba38c23d0ada1bde7144a8745caa308d9e1f94a4a71d8af63732266f']
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dependencies = [
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('Python', '3.8.6'),
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('SciPy-bundle', '2020.11'),
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('XZ', '5.2.5'),
|
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('HDF5', '1.10.7'),
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('netCDF', '4.7.4'),
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('libGLU', '9.0.1'),
|
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('X11', '20201008'),
|
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('Mesa', '20.2.1'),
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('Qt5', '5.14.2'),
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('zlib', '1.2.11'),
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('FFmpeg', '4.3.1'),
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('Szip', '2.1.1'),
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]
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builddependencies = [('CMake', '3.18.4')]
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separate_build_dir = True
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# Paraview
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configopts = '-DPARAVIEW_INSTALL_DEVELOPMENT_FILES=ON -DPARAVIEW_BUILD_SHARED_LIBS=ON '
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configopts += '-DPARAVIEW_USE_MPI=ON '
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configopts += '-DPARAVIEW_ENABLE_FFMPEG=ON '
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configopts += '-DPARAVIEW_USE_PYTHON=ON '
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configopts += '-DPython3_ROOT_DIR=$EBROOTPYTHON '
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# OpenGL & Mesa
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configopts += '-DOPENGL_glu_LIBRARY=$EBROOTLIBGLU/lib/libGLU.%s ' % SHLIB_EXT
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configopts += '-DOPENGL_INCLUDE_DIR=$EBROOTMESA/include '
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|
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sanity_check_paths = {
|
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'files': ['bin/paraview', 'bin/pvpython'],
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'dirs': ['include/paraview-%(version_major_minor)s', 'lib/python%(pyshortver)s/site-packages'],
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}
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|
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sanity_check_commands = ['python -c "import paraview"']
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|
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modextrapaths = {'PYTHONPATH': ['lib64/python%(pyshortver)s/site-packages', 'lib/python%(pyshortver)s/site-packages']}
|
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|
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moduleclass = 'vis'
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84
q/Qt5/Qt5-5.14.2-GCCcore-10.2.0.eb
Normal file
84
q/Qt5/Qt5-5.14.2-GCCcore-10.2.0.eb
Normal file
@ -0,0 +1,84 @@
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# IT4Innovatins
|
||||
# LK 2021
|
||||
|
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easyblock = 'EB_Qt'
|
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|
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name = 'Qt5'
|
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version = '5.14.2'
|
||||
|
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homepage = 'https://qt.io/'
|
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description = "Qt is a comprehensive cross-platform C++ application framework."
|
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|
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toolchain = {'name': 'GCCcore', 'version': '10.2.0'}
|
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# disabling use of -ftree-vectorize is required to avoid compilation failures on some systems (e.g. Intel Skylake X)
|
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toolchainopts = {'vectorize': False}
|
||||
|
||||
source_urls = [
|
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'https://download.qt.io/official_releases/qt/%(version_major_minor)s/%(version)s/single/',
|
||||
'https://download.qt.io/archive/qt/%(version_major_minor)s/%(version)s/single/',
|
||||
'https://download.qt.io/new_archive/qt/%(version_major_minor)s/%(version)s/single/',
|
||||
]
|
||||
sources = ['qt-everywhere-src-%(version)s.tar.xz']
|
||||
patches = [
|
||||
'Qt5-5.13.1_fix-avx2.patch',
|
||||
'Qt5-5.13.1_fix-qmake-libdir.patch',
|
||||
'Qt5-5.14.1_fix-OF-Gentoo.patch',
|
||||
'Qt5-5.14.2_fix-missing-stdint.patch',
|
||||
'Qt5-5.14.2_fix-webengine-bison.patch',
|
||||
'Qt5-5.14.2_fix-std-runtime_error.patch',
|
||||
'Qt5-5.14.2_fix-include-math.patch',
|
||||
]
|
||||
checksums = [
|
||||
'c6fcd53c744df89e7d3223c02838a33309bd1c291fcb6f9341505fe99f7f19fa', # qt-everywhere-src-5.14.2.tar.xz
|
||||
'6f46005f056bf9e6ff3e5d012a874d18ee03b33e685941f2979c970be91a9dbc', # Qt5-5.13.1_fix-avx2.patch
|
||||
'511ca9c0599ceb1989f73d8ceea9199c041512d3a26ee8c5fd870ead2c10cb63', # Qt5-5.13.1_fix-qmake-libdir.patch
|
||||
'0b9defb7ce75314d85bebe07e143db7f7de316fec64c17cbd13f7eec5d2d1afa', # Qt5-5.14.1_fix-OF-Gentoo.patch
|
||||
'648e2a92d5ea139543db5d01a80aa33d4721e52bb59c785490b64497b0ede4ab', # Qt5-5.14.2_fix-missing-stdint.patch
|
||||
'6ace4735e35dee95d6b6c7eea3a7c46c264589a319d745310282ee724f632861', # Qt5-5.14.2_fix-webengine-bison.patch
|
||||
'290d91efe8fc7c6daedf01f4a055ff30123c987d41b1832a34920ef521579f5c', # Qt5-5.14.2_fix-std-runtime_error.patch
|
||||
'32c975b4ad12150f872554f1960c7108bc9c994e318988bab27e762a6c666fa2', # Qt5-5.14.2_fix-include-math.patch
|
||||
]
|
||||
|
||||
builddependencies = [
|
||||
('binutils', '2.35'),
|
||||
('pkg-config', '0.29.2'),
|
||||
# deps for QtWebEngine
|
||||
('Bison', '3.7.1'),
|
||||
('flex', '2.6.4'),
|
||||
('gperf', '3.1'),
|
||||
('Ninja', '1.10.1'),
|
||||
# ('Python', '2.7.18'),
|
||||
('re2c', '2.0.3')
|
||||
]
|
||||
|
||||
dependencies = [
|
||||
('double-conversion', '3.1.5'),
|
||||
('GLib', '2.66.1'),
|
||||
('PCRE2', '10.35'),
|
||||
('libpng', '1.6.37'),
|
||||
# deps for QtWebEngine
|
||||
('X11', '20201008'),
|
||||
('fontconfig', '2.13.92'),
|
||||
('DBus', '1.13.18'),
|
||||
('libevent', '2.1.12'),
|
||||
('libGLU', '9.0.1'),
|
||||
('libjpeg-turbo', '2.0.5'),
|
||||
('NSS', '3.57'),
|
||||
('snappy', '1.1.8'),
|
||||
('JasPer', '2.0.24'),
|
||||
('bzip2', '1.0.8'),
|
||||
# OS dependency should be preferred if the os version is more recent then this version,
|
||||
# it is nice to have an up to date openssl for security reasons
|
||||
# ('OpenSSL', '1.1.1h'), # Qt5 > 5.15.0 requires OpenSSL 1.1.1
|
||||
]
|
||||
|
||||
osdependencies = [OS_PKG_OPENSSL_DEV]
|
||||
|
||||
# qtgamepad needs recent kernel/libevdev (fails on RHEL 6.x)
|
||||
# qtwayland fails to build on (some) Centos 7 systems
|
||||
configopts = '-skip qtgamepad -skip qtwayland'
|
||||
|
||||
# make sure QtWebEngine component is being built & installed
|
||||
check_qtwebengine = True
|
||||
|
||||
moduleclass = 'devel'
|
||||
70
s/SciPy-bundle/SciPy-bundle-2020.11-intel-2020b.eb
Normal file
70
s/SciPy-bundle/SciPy-bundle-2020.11-intel-2020b.eb
Normal file
@ -0,0 +1,70 @@
|
||||
# IT4Innovations
|
||||
# LK 2021
|
||||
|
||||
easyblock = 'PythonBundle'
|
||||
|
||||
name = 'SciPy-bundle'
|
||||
version = '2020.11'
|
||||
|
||||
homepage = 'https://python.org/'
|
||||
description = "Bundle of Python packages for scientific software"
|
||||
|
||||
toolchain = {'name': 'intel', 'version': '2020b'}
|
||||
toolchainopts = {'pic': True, 'lowopt': True}
|
||||
|
||||
builddependencies = [('hypothesis', '5.41.2')]
|
||||
|
||||
dependencies = [
|
||||
('Python', '3.8.6'),
|
||||
('pybind11', '2.6.0'), # required by scipy
|
||||
]
|
||||
|
||||
use_pip = True
|
||||
|
||||
preconfigopts = [ 'export MKL_DEBUG_CPU_TYPE=5 && ']
|
||||
|
||||
exts_default_options = {'source_urls': [PYPI_SOURCE]}
|
||||
|
||||
# order is important!
|
||||
exts_list = [
|
||||
('numpy', '1.19.4', {
|
||||
'source_tmpl': '%(name)s-%(version)s.zip',
|
||||
'patches': [
|
||||
'numpy-1.18.2-mkl.patch',
|
||||
'numpy-1.19.4_disable-broken-test.patch',
|
||||
],
|
||||
'checksums': [
|
||||
'141ec3a3300ab89c7f2b0775289954d193cc8edb621ea05f99db9cb181530512', # numpy-1.19.4.zip
|
||||
'ea25ad5c0148c1398d282f0424e642fb9815a1a80f4512659b018e2adc378bcf', # numpy-1.18.2-mkl.patch
|
||||
#numpy-1.19.4_disable-broken-test.patch
|
||||
'9cc8bbd106ecba603254536101f53fdc200e81d43ca4800b5a84be9b645e9320',
|
||||
],
|
||||
}),
|
||||
('scipy', '1.5.4', {
|
||||
'checksums': ['4a453d5e5689de62e5d38edf40af3f17560bfd63c9c5bd228c18c1f99afa155b'],
|
||||
}),
|
||||
('mpi4py', '3.0.3', {
|
||||
'checksums': ['012d716c8b9ed1e513fcc4b18e5af16a8791f51e6d1716baccf988ad355c5a1f'],
|
||||
}),
|
||||
('numexpr', '2.7.1', {
|
||||
'checksums': ['b0d239d9827e1bcee08344fd05835823bc60aff97232e35a928214d03ff802b1'],
|
||||
}),
|
||||
('Bottleneck', '1.3.2', {
|
||||
'checksums': ['20179f0b66359792ea283b69aa16366419132f3b6cf3adadc0c48e2e8118e573'],
|
||||
}),
|
||||
('pandas', '1.1.4', {
|
||||
'checksums': ['a979d0404b135c63954dea79e6246c45dd45371a88631cdbb4877d844e6de3b6'],
|
||||
# strip out use of -Werror to avoid failing compilation due to Intel compiler warning
|
||||
'preinstallopts': """sed -i 's@extra_compile_args = \["-Werror"\]@extra_compile_args = []@g' setup.py && """,
|
||||
}),
|
||||
('mpmath', '1.1.0', {
|
||||
'checksums': ['fc17abe05fbab3382b61a123c398508183406fa132e0223874578e20946499f6'],
|
||||
}),
|
||||
('deap', '1.3.1', {
|
||||
'checksums': ['11f54493ceb54aae10dde676577ef59fc52d52f82729d5a12c90b0813c857a2f'],
|
||||
}),
|
||||
]
|
||||
|
||||
sanity_pip_check = True
|
||||
|
||||
moduleclass = 'lang'
|
||||
@ -28,6 +28,7 @@ exts_list = [
|
||||
'patches': [
|
||||
'numpy-1.20.3_skip-ppc-long-complex-test.patch',
|
||||
'numpy-1.20.3_xfail-test-nan.patch',
|
||||
'numpy-1.18.2-mkl.patch',
|
||||
],
|
||||
'checksums': [
|
||||
'e55185e51b18d788e49fe8305fd73ef4470596b33fc2c1ceb304566b99c71a69', # numpy-1.20.3.zip
|
||||
|
||||
Loading…
x
Reference in New Issue
Block a user