瀏覽代碼

Upgrade 2021

Pierre-Yves Barriat 2 年之前
父節點
當前提交
f77e8f23a7
共有 33 個文件被更改,包括 461 次插入444 次删除
  1. 0 33
      foss-2021b/ANTLR-2.7.7-GCCcore-11.2.0-Java-11.eb
  2. 3 3
      foss-2021b/CDO-1.9.10-gompi-2021b.eb
  3. 7 69
      foss-2021b/ELIC_Python-1-foss-2021b.eb
  4. 0 17
      foss-2021b/FFTW-3.3.9-gompi-2021b.eb
  5. 38 0
      foss-2021b/HarfBuzz-4.2.1-GCCcore-11.2.0.eb
  6. 29 0
      foss-2021b/ICU-71.1-GCCcore-11.2.0.eb
  7. 3 3
      foss-2021b/NCL-6.6.2-foss-2021b.eb
  8. 25 0
      foss-2021b/OpenSSL-1.1.1m-GCCcore-11.2.0.eb
  9. 2 1
      foss-2021b/OpenSSL-1.1.eb
  10. 42 0
      foss-2021b/PCRaster-4.3.3-foss-2021b.eb
  11. 69 0
      foss-2021b/Qt5-5.15.5-GCCcore-11.2.0.eb
  12. 1 1
      foss-2021b/R-4.1.0-foss-2021b.eb
  13. 0 43
      foss-2021b/ScaLAPACK-2.1.0-gompi-2021b-fb.eb
  14. 0 65
      foss-2021b/SciPy-bundle-2021.05-foss-2021b.eb
  15. 23 0
      foss-2021b/YAXT-0.9.2-gompi-2021b.eb
  16. 0 29
      foss-2021b/cppy-1.1.0-GCCcore-11.2.0.eb
  17. 1 1
      foss-2021b/ecCodes-2.22.1-gompi-2021b.eb
  18. 44 0
      foss-2021b/ecCodes-2.24.2-gompi-2021b.eb
  19. 28 0
      foss-2021b/eccodes-python-1.1.0-foss-2021b.eb
  20. 0 32
      foss-2021b/flex-2.6.4.eb
  21. 0 27
      foss-2021b/foss-2021b.eb
  22. 0 20
      foss-2021b/gompi-2021b.eb
  23. 36 0
      foss-2021b/libunwind-1.5.0-GCCcore-11.2.0.eb
  24. 0 63
      foss-2021b/matplotlib-3.4.3-foss-2021b.eb
  25. 1 1
      foss-2021b/ncview-2.1.8-gompi-2021b.eb
  26. 0 25
      foss-2021b/netCDF-C++4-4.3.1-gompi-2021b.eb
  27. 42 0
      foss-2021b/nodejs-16.15.1-GCCcore-11.2.0.eb
  28. 3 0
      foss-2021b/python2_install.sh
  29. 13 3
      foss-2021b/python_install.sh
  30. 21 0
      intel-2021.04/HDF5-1.12.1-intel-compilers-2021.4.0.eb
  31. 5 5
      intel-2021.04/netCDF-4.8.1-intel-compilers-2021.4.0.eb
  32. 3 3
      intel-2021.04/netCDF-Fortran-4.5.3-intel-compilers-2021.4.0.eb
  33. 22 0
      intel-2021b/test.sh

+ 0 - 33
foss-2021b/ANTLR-2.7.7-GCCcore-11.2.0-Java-11.eb

@@ -1,33 +0,0 @@
-easyblock = 'ConfigureMake'
-
-name = 'ANTLR'
-version = '2.7.7'
-versionsuffix = '-Java-%(javaver)s'
-
-homepage = 'https://www.antlr2.org/'
-description = """ANTLR, ANother Tool for Language Recognition, (formerly PCCTS)
- is a language tool that provides a framework for constructing recognizers,
- compilers, and translators from grammatical descriptions containing
- Java, C#, C++, or Python actions."""
-
-toolchain = {'name': 'GCCcore', 'version': '11.2.0'}
-
-source_urls = ['https://www.antlr2.org/download/']
-sources = [SOURCELOWER_TAR_GZ]
-patches = ['%(name)s-%(version)s_includes.patch']
-checksums = [
-    '853aeb021aef7586bda29e74a6b03006bcb565a755c86b66032d8ec31b67dbb9',  # antlr-2.7.7.tar.gz
-    'd167d3248a03301bc93efcb37d5df959aae6794968e42231af0b0dd26d6a2e66',  # ANTLR-2.7.7_includes.patch
-]
-
-builddependencies = [('binutils', '2.37')]
-dependencies = [('Java', '11', '', True)]
-
-configopts = '--disable-examples --disable-csharp --disable-python'
-
-sanity_check_paths = {
-    'files': ['bin/antlr', 'bin/antlr-config'],
-    'dirs': ['include'],
-}
-
-moduleclass = 'tools'

+ 3 - 3
foss-2021b/CDO-1.9.10-gompi-2021b.eb

@@ -15,9 +15,9 @@ checksums = ['cc39c89bbb481d7b3945a06c56a8492047235f46ac363c4f0d980fccdde6677e']
 
 dependencies = [
     ('HDF5', '1.12.1'),
-    ('netCDF', '4.8.0'),
-    ('YAXT', '0.9.1'),
-    ('ecCodes', '2.22.1'),
+    ('netCDF', '4.8.1'),
+    ('YAXT', '0.9.2'),
+    ('ecCodes', '2.24.2'),
 ]
 
 configopts = "--with-hdf5=$EBROOTHDF5 --with-netcdf=$EBROOTNETCDF --with-eccodes=$EBROOTECCODES"

+ 7 - 69
foss-2021b/ELIC_Python-1-foss-2021b.eb

@@ -14,13 +14,14 @@ builddependencies = [
 
 dependencies = [
     ('Python', '3.9.6'),
-    ('SciPy-bundle', '2021.05'),
+    ('SciPy-bundle', '2021.10'),
     ('matplotlib', '3.4.3'),
-    ('GDAL', '3.3.0'),
+    ('GDAL', '3.3.2'),
     ('NCL', '6.6.2'),
     ('CDO', '1.9.10'),
-    ('NCO', '5.0.1'),
+    ('NCO', '5.0.3'),
     ('ncview', '2.1.8'),
+    ('GObject-Introspection', '1.68.0'), 
     #('libmo_unpack', '3.1.2'),
     #('orca', '3.4.3'),
 ]
@@ -32,7 +33,7 @@ exts_default_options = {
 
 exts_list = [
     # Python deps, order is important!
-    ('pip', '21.3.1', {
+    ('pip', '22.0.4', {
         'modulename': 'pip',
         'source_tmpl': '%(version)s.tar.gz',
         'source_urls': ['https://github.com/pypa/pip/archive/'],
@@ -53,12 +54,6 @@ exts_list = [
     #    'source_urls': ['https://github.com/SciTools/mo_pack/archive/'],
     #    'checksums': ['4aa70e1f846b666670843bc2514435dedf7393203e88abaf74d48f8f2717a726'],
     #}),
-    #('basemap', '1.2.2rel', {
-    #    'modulename': 'mpl_toolkits',
-    #    'source_tmpl': 'v%(version)s.tar.gz',
-    #    'source_urls': ['https://github.com/matplotlib/basemap/archive'],
-    #    'use_pip': True,
-    #}),
 ]
 
 modextrapaths = {
@@ -68,65 +63,8 @@ modextrapaths = {
 
 postinstallcmds = [
     "cd %(installdir)s && " +
-    'pip install setuptools --upgrade && ' +
-    'pip install olefile pyproj pyshp chardet urllib3 --prefix="%(installdir)s" && ' +
-    'pip install OWSLib ' +
-                'netCDF4 ' +
-                'dask ' +
-                'cf-units ' +
-                #'Cartopy ' +
-                #'Shapely ' +
-                #'astropy ' +
-                #'tqdm ' +
-                #'cf-units ' +
-                #'cftime ' +
-                #'singledispatch ' +
-                #'backports_abc ' +
-                #'tornado ' +
-                #'toolz ' +
-                #'patsy ' +
-                #'statsmodels ' +
-                #'nc-time-axis ' +
-                #'yamale ' +
-                #'affine ' +
-                #'boto3 ' +
-                #'botocore ' +
-                #'click-plugins ' +
-                #'cligj ' +
-                #'cloudpickle ' +
-                #'fiona ' +
-                #'geopandas ' +
-                #'jmespath ' +
-                #'munch ' +
-                #'networkx ' +
-                #'python-utils ' +
-                #'rasterio ' +
-                #'s3transfer ' +
-                #'snuggs ' +
-                #'xarray ' +
-                #'PyWavelets ' +
-                #'progressbar2 ' +
-                #'scikit-image ' +
-                #'descartes ' +
-                #'graphviz ' +
-                #'Bottleneck ' +
-                #'pickleshare ' +
-                #'prompt_toolkit ' +
-                #'ptyprocess ' +
-                #'pexpect ' +
-                #'typelib ' +
-                #'testpath ' +
-                #'parso ' +
-                #'jedi ' +
-                #'scikit-learn ' +
-                #'ldap3 ' +
-                #'skills ' +
-                #'XlsxWriter ' +
-                #'pyrsistent ' +
-                #'jsonschema ' +
-                #'plotly-charts ' +
-                #'rpy2 ' +
-                '--prefix="%(installdir)s" '
+    'pip install olefile pyproj pyshp --prefix="%(installdir)s" && ' +
+    'pip install chardet urllib3 --prefix="%(installdir)s" '
 ]
 
 moduleclass = 'numlib'

+ 0 - 17
foss-2021b/FFTW-3.3.9-gompi-2021b.eb

@@ -1,17 +0,0 @@
-name = 'FFTW'
-version = '3.3.9'
-
-homepage = 'http://www.fftw.org'
-description = """FFTW is a C subroutine library for computing the discrete Fourier transform (DFT)
- in one or more dimensions, of arbitrary input size, and of both real and complex data."""
-
-toolchain = {'name': 'gompi', 'version': '2021b'}
-toolchainopts = {'pic': True}
-
-source_urls = [homepage]
-sources = [SOURCELOWER_TAR_GZ]
-checksums = ['bf2c7ce40b04ae811af714deb512510cc2c17b9ab9d6ddcf49fe4487eea7af3d']
-
-runtest = 'check'
-
-moduleclass = 'numlib'

+ 38 - 0
foss-2021b/HarfBuzz-4.2.1-GCCcore-11.2.0.eb

@@ -0,0 +1,38 @@
+easyblock = 'ConfigureMake'
+
+name = 'HarfBuzz'
+version = '4.2.1'
+
+homepage = 'https://www.freedesktop.org/wiki/Software/HarfBuzz'
+description = """HarfBuzz is an OpenType text shaping engine."""
+
+toolchain = {'name': 'GCCcore', 'version': '11.2.0'}
+
+github_account = 'harfbuzz'
+source_urls = [GITHUB_SOURCE]
+sources = ['%(version)s.tar.gz']
+checksums = ['99fcd30e2f4c66d05af3d61ad4cdba2abc2a51ecabb7eb6dc222520a892b50b0']
+
+builddependencies = [
+    ('binutils', '2.37'),
+    ('GObject-Introspection', '1.68.0'),
+    ('pkgconf', '1.8.0'),
+    ('Autotools', '20210726'),
+]
+
+dependencies = [
+    ('GLib', '2.69.1'),
+    ('ICU', '71.1'),
+    ('cairo', '1.16.0'),
+    ('freetype', '2.11.0'),
+]
+
+preconfigopts = "./autogen.sh && "
+configopts = "--enable-introspection=yes --with-gobject=yes --enable-static --enable-shared --with-cairo "
+
+sanity_check_paths = {
+    'files': ['lib/libharfbuzz.%s' % SHLIB_EXT, 'bin/hb-view'],
+    'dirs': []
+}
+
+moduleclass = 'vis'

+ 29 - 0
foss-2021b/ICU-71.1-GCCcore-11.2.0.eb

@@ -0,0 +1,29 @@
+easyblock = 'ConfigureMake'
+
+name = 'ICU'
+version = '71.1'
+
+homepage = 'https://icu.unicode.org'
+description = """ICU is a mature, widely used set of C/C++ and Java libraries providing Unicode and Globalization
+ support for software applications."""
+
+toolchain = {'name': 'GCCcore', 'version': '11.2.0'}
+toolchainopts = {'pic': True}
+
+source_urls = ['https://github.com/unicode-org/icu/releases/download/release-%(version_major)s-%(version_minor)s']
+sources = ['icu4c-%(version_major)s_%(version_minor)s-src.tgz']
+checksums = ['67a7e6e51f61faf1306b6935333e13b2c48abd8da6d2f46ce6adca24b1e21ebf']
+
+builddependencies = [
+    ('binutils', '2.37'),
+    ('Python', '3.9.6', '-bare'),
+]
+
+start_dir = 'source'
+
+sanity_check_paths = {
+    'files': ['lib/libicu%s.%s' % (x, SHLIB_EXT) for x in ['data', 'i18n', 'io', 'test', 'tu', 'uc']],
+    'dirs': ['bin', 'include/unicode', 'share/icu', 'share/man'],
+}
+
+moduleclass = 'lib'

+ 3 - 3
foss-2021b/NCL-6.6.2-foss-2021b.eb

@@ -36,14 +36,14 @@ dependencies = [
     ('g2clib', '1.6.3'),
     ('HDF', '4.2.15'),
     ('HDF5', '1.12.1'),
-    ('netCDF', '4.8.0'),
+    ('netCDF', '4.8.1'),
     ('netCDF-Fortran', '4.5.3'),
     ('Szip', '2.1.1'),
     ('freetype', '2.11.0'),
     ('zlib', '1.2.11'),
-    ('GDAL', '3.3.0'),
+    ('GDAL', '3.3.2'),
     ('UDUNITS', '2.2.28'),
-    ('ESMF', '8.1.1'),
+    ('ESMF', '8.2.0'),
     ('bzip2', '1.0.8'),
     ('cairo', '1.16.0'),
     ('libiconv', '1.16'),

+ 25 - 0
foss-2021b/OpenSSL-1.1.1m-GCCcore-11.2.0.eb

@@ -0,0 +1,25 @@
+name = 'OpenSSL'
+version = '1.1.1m'
+
+homepage = 'https://www.openssl.org/'
+description = """The OpenSSL Project is a collaborative effort to develop a robust, commercial-grade, full-featured,
+ and Open Source toolchain implementing the Secure Sockets Layer (SSL v2/v3) and Transport Layer Security (TLS v1) 
+ protocols as well as a full-strength general purpose cryptography library. """
+
+toolchain = {'name': 'GCCcore', 'version': '11.2.0'}
+toolchainopts = {'pic': True}
+
+source_urls = ['https://www.openssl.org/source/']
+sources = [SOURCELOWER_TAR_GZ]
+#checksums = ['892a0875b9872acd04a9fde79b1f943075d5ea162415de3047c327df33fbaee5']
+
+dependencies = [('zlib', '1.2.11')]
+
+builddependencies = [
+    ('Perl', '5.34.0'),
+    ('binutils', '2.37'),
+]
+
+runtest = 'test'
+
+moduleclass = 'system'

+ 2 - 1
foss-2021b/OpenSSL-1.1.eb

@@ -27,10 +27,11 @@ builddependencies = [('pkg-config', '0.29.2')]
 # component list, which will be build and installed as usual.
 
 components = [
-    (name, '1.1.1l', {
+    (name, '1.1.1m', {
         'easyblock': 'EB_OpenSSL',
         'source_urls': ['https://www.openssl.org/source/'],
         'sources': [SOURCELOWER_TAR_GZ],
+        #'checksums': ['892a0875b9872acd04a9fde79b1f943075d5ea162415de3047c327df33fbaee5'],
         'start_dir': '%(namelower)s-%(version)s',
     }),
 ]

+ 42 - 0
foss-2021b/PCRaster-4.3.3-foss-2021b.eb

@@ -0,0 +1,42 @@
+easyblock = 'CMakeMake'
+
+name = 'PCRaster'
+
+version = '4.3.3'
+
+versionsuffix = '-Python-%(pyver)s'
+
+homepage = "https://pcraster.geo.uu.nl"
+
+description = """PCRaster is a collection of software targeted at the
+development and deployment of spatio-temporal environmental models."""
+
+toolchain = {'name': 'GCCcore', 'version': '11.2.0'}
+
+sources = ['%(namelower)s-%(version)s.tar.bz2']
+source_urls = ['http://pcraster.geo.uu.nl/pcraster/packages/src/']
+
+builddependencies = [
+    ('CMake', '3.21.1'),
+]
+
+dependencies = [
+    ('Python', '3.9.6'),
+    ('Qt5', '5.15.5'),
+    ('Boost', '1.79.0', '', ('GCC', '11.2.0')),
+    ('GDAL', '3.3.2', '', ('foss', '2021b')),
+    ('Xerces-C++', '3.2.3'),
+    ('ncurses', '6.2')
+]
+
+configopts = " -D Python3_EXECUTABLE=$EBROOTPYTHON/bin/python -D PYTHON_EXECUTABLE=$EBROOTPYTHON/bin/python -D PCRASTER_WITH_FLAGS_IPO=ON "
+
+sanity_check_paths = {
+    'files': ['bin/%s' % x for x in ['aguila', 'asc2map', 'col2map', 'legend', 'map2asc', 'map2col',
+                                     'mapattr', 'oldcalc', 'pcrcalc', 'mf2005', 'resample', 'table']],
+    'dirs': ['python/pcraster'],
+}
+
+modextrapaths = {'PYTHONPATH': ['python']}
+
+moduleclass = 'geo'

+ 69 - 0
foss-2021b/Qt5-5.15.5-GCCcore-11.2.0.eb

@@ -0,0 +1,69 @@
+easyblock = 'EB_Qt'
+
+name = 'Qt5'
+version = '5.15.5'
+
+homepage = 'https://qt.io/'
+description = "Qt is a comprehensive cross-platform C++ application framework."
+
+toolchain = {'name': 'GCCcore', 'version': '11.2.0'}
+# disabling use of -ftree-vectorize is required to avoid compilation failures on some systems (e.g. Intel Skylake X)
+toolchainopts = {'vectorize': False}
+
+source_urls = [
+    '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-opensource-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',
+    'Qt5-5.15.5_fix-qtwebegine-HarfBuzz-3.x.patch',
+]
+
+builddependencies = [
+    ('binutils', '2.37'),
+    ('pkgconf', '1.8.0'),
+    # deps for QtWebEngine
+    ('Bison', '3.7.6'),
+    ('flex', '2.6.4'),
+    ('gperf', '3.1'),
+    ('Ninja', '1.10.2'),
+    # Qt5WebEngine has build dependency on Python 2
+    ('Python', '2.7.18', '-bare'),
+    ('re2c', '2.2'),
+]
+
+dependencies = [
+    ('double-conversion', '3.1.5'),
+    ('GLib', '2.69.1'),
+    ('PCRE2', '10.37'),
+    ('libpng', '1.6.37'),
+    ('HarfBuzz', '4.2.1'),
+    ('graphite2', '1.3.14'),
+    # deps for QtWebEngine
+    ('X11', '20210802'),
+    ('fontconfig', '2.13.94'),
+    ('DBus', '1.13.18'),
+    ('libevent', '2.1.12'),
+    ('libGLU', '9.0.2'),
+    ('libjpeg-turbo', '2.0.6'),
+    ('NSS', '3.69'),
+    ('snappy', '1.1.9'),
+    ('JasPer', '2.0.33'),
+    ('bzip2', '1.0.8'),
+    ('OpenSSL', '1.1', '', True),
+    ('ICU', '71.1'),
+    ('nodejs', '16.15.1'),
+]
+
+# 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'

+ 1 - 1
foss-2021b/R-4.1.0-foss-2021b.eb

@@ -49,7 +49,7 @@ dependencies = [
     ('ImageMagick', '7.1.0-4'),  # for animation
     ('GLPK', '5.0'),  # for Rglpk
     ('nodejs', '14.17.6'),  # for V8 (required by rstan)
-    ('GDAL', '3.3.0'),  # for sf
+    ('GDAL', '3.3.2'),  # for sf
     ('libgit2', '1.1.1'),
     ('OpenSSL', '1.1', '', True),
 ]

+ 0 - 43
foss-2021b/ScaLAPACK-2.1.0-gompi-2021b-fb.eb

@@ -1,43 +0,0 @@
-name = 'ScaLAPACK'
-version = '2.1.0'
-versionsuffix = '-fb'
-
-homepage = 'https://www.netlib.org/scalapack/'
-description = """The ScaLAPACK (or Scalable LAPACK) library includes a subset of LAPACK routines
- redesigned for distributed memory MIMD parallel computers."""
-
-toolchain = {'name': 'gompi', 'version': '2021b'}
-toolchainopts = {'pic': True}
-
-source_urls = [homepage]
-sources = [SOURCELOWER_TGZ]
-patches = ['ScaLAPACK-%(version)s_fix-GCC-10.patch']
-checksums = [
-    '61d9216cf81d246944720cfce96255878a3f85dec13b9351f1fa0fd6768220a6',  # scalapack-2.1.0.tgz
-    'bbb713c9fcabac802811c7f2c3a957c2d5d19dfd118ed1f6578c1436b82c7c43',  # ScaLAPACK-2.1.0_fix-GCC-10.patch
-]
-
-builddependencies = [
-    ('CMake', '3.21.1'),
-]
-
-dependencies = [
-    ('FlexiBLAS', '3.0.4'),
-]
-
-# Config Opts based on AOCL User Guide:
-# https://developer.amd.com/wp-content/resources/AOCL_User%20Guide_2.2.pdf
-
-configopts = '-DBUILD_SHARED_LIBS=ON '
-configopts += '-DBLAS_LIBRARIES="$EBROOTFLEXIBLAS/lib/libflexiblas.%s" ' % SHLIB_EXT
-configopts += '-DLAPACK_LIBRARIES="$EBROOTFLEXIBLAS/lib/libflexiblas.%s" ' % SHLIB_EXT
-configopts += '-DCMAKE_C_COMPILER=mpicc '
-configopts += '-DCMAKE_Fortran_COMPILER=mpif90 '
-configopts += '-DCMAKE_Fortran_FLAGS="-lpthread -fopenmp $DCMAKE_Fortran_FLAGS" '
-
-sanity_check_paths = {
-    'files': ['lib/libscalapack.%s' % SHLIB_EXT, 'lib64/libscalapack.%s' % SHLIB_EXT],
-    'dirs': ["lib", "lib64"],
-}
-
-moduleclass = 'numlib'

+ 0 - 65
foss-2021b/SciPy-bundle-2021.05-foss-2021b.eb

@@ -1,65 +0,0 @@
-easyblock = 'PythonBundle'
-
-name = 'SciPy-bundle'
-version = '2021.05'
-
-homepage = 'https://python.org/'
-description = "Bundle of Python packages for scientific software"
-
-toolchain = {'name': 'foss', 'version': '2021b'}
-toolchainopts = {'pic': True, 'lowopt': True}
-
-builddependencies = [('hypothesis', '6.14.6')]
-
-dependencies = [
-    ('Python', '3.9.6'),
-    ('pybind11', '2.7.1'),  # required by scipy
-]
-
-use_pip = True
-
-# order is important!
-exts_list = [
-    ('numpy', '1.20.3', {
-        'sources': [SOURCE_ZIP],
-        'patches': [
-            'numpy-1.20.3_skip-ppc-long-complex-test.patch',
-            'numpy-1.20.3_xfail-test-nan.patch',
-            'numpy-1.20.3_fix-target-test-ccompiler-opt.patch',
-        ],
-        'checksums': [
-            'e55185e51b18d788e49fe8305fd73ef4470596b33fc2c1ceb304566b99c71a69',  # numpy-1.20.3.zip
-            # numpy-1.20.3_skip-ppc-long-complex-test.patch
-            '2f9a12e3a352b39076db84a7622fc8f4796abd3cb7f97f71958a495e864659a4',
-            'f0ce961f7d79551598e23050d92f46e827e300f6a7e5a6112e58efcc10385d4d',  # numpy-1.20.3_xfail-test-nan.patch
-            # numpy-1.20.3_fix-target-test-ccompiler-opt.patch
-            '3d84e8b7d48387778974a5f6ae342a690ab5989547206b6add9d9667f8d7572a',
-        ],
-    }),
-    ('scipy', '1.6.3', {
-        'checksums': ['a75b014d3294fce26852a9d04ea27b5671d86736beb34acdfc05859246260707'],
-    }),
-    ('mpi4py', '3.0.3', {
-        'checksums': ['012d716c8b9ed1e513fcc4b18e5af16a8791f51e6d1716baccf988ad355c5a1f'],
-    }),
-    ('numexpr', '2.7.3', {
-        'checksums': ['43616529f9b7d1afc83386f943dc66c4da5e052f00217ba7e3ad8dd1b5f3a825'],
-    }),
-    ('Bottleneck', '1.3.2', {
-        'checksums': ['20179f0b66359792ea283b69aa16366419132f3b6cf3adadc0c48e2e8118e573'],
-    }),
-    ('pandas', '1.2.4', {
-        'preinstallopts': """sed -i 's@extra_compile_args = \["-Werror"\]@extra_compile_args = []@g' setup.py && """,
-        'checksums': ['649ecab692fade3cbfcf967ff936496b0cfba0af00a55dfaacd82bdda5cb2279'],
-    }),
-    ('mpmath', '1.2.1', {
-        'checksums': ['79ffb45cf9f4b101a807595bcb3e72e0396202e0b1d25d689134b48c4216a81a'],
-    }),
-    ('deap', '1.3.1', {
-        'checksums': ['11f54493ceb54aae10dde676577ef59fc52d52f82729d5a12c90b0813c857a2f'],
-    }),
-]
-
-sanity_pip_check = True
-
-moduleclass = 'lang'

+ 23 - 0
foss-2021b/YAXT-0.9.2-gompi-2021b.eb

@@ -0,0 +1,23 @@
+easyblock = 'ConfigureMake'
+
+name = 'YAXT'
+version = '0.9.2'
+
+homepage = 'https://www.dkrz.de/redmine/projects/yaxt'
+description = "Yet Another eXchange Tool"
+
+toolchain = {'name': 'gompi', 'version': '2021b'}
+toolchainopts = {'usempi': True}
+
+source_urls = ['https://www.dkrz.de/redmine/attachments/download/513/']
+sources = [SOURCELOWER_TAR_GZ]
+checksums = ['b6714e42483486d76db146732bac74bc500096c15c9efa411ece3e00172fc360']
+
+configopts = 'FC="$F90" FCFLAGS="$F90FLAGS -cpp"'
+
+sanity_check_paths = {
+    'files': ['include/yaxt.h', 'include/yaxt.mod', 'lib/libyaxt.a', 'lib/libyaxt.%s' % SHLIB_EXT],
+    'dirs': ['include/xt'],
+}
+
+moduleclass = 'tools'

+ 0 - 29
foss-2021b/cppy-1.1.0-GCCcore-11.2.0.eb

@@ -1,29 +0,0 @@
-easyblock = 'PythonPackage'
-
-name = 'cppy'
-version = '1.1.0'
-
-homepage = "https://github.com/nucleic/cppy"
-description = """A small C++ header library which makes it easier to write
-Python extension modules. The primary feature is a PyObject smart pointer
-which automatically handles reference counting and provides convenience
-methods for performing common object operations."""
-
-
-toolchain = {'name': 'GCCcore', 'version': '11.2.0'}
-
-builddependencies = [('binutils', '2.37')]
-
-dependencies = [
-    ('Python', '3.9.6'),
-]
-
-source_urls = ['https://github.com/nucleic/cppy/archive/refs/tags/']
-sources = ['%(version)s.tar.gz']
-checksums = ['40a9672df1ec2d7f0b54f70e574101f42131c0f5e47980769f68085e728a4934']
-
-download_dep_fail = True
-sanity_pip_check = True
-use_pip = True
-
-moduleclass = 'tools'

+ 1 - 1
foss-2021b/ecCodes-2.22.1-gompi-2021b.eb

@@ -18,7 +18,7 @@ checksums = ['75c7ee96469bb30b0c8f7edbdc4429ece4415897969f75c36173545242bc9e85']
 builddependencies = [('CMake', '3.21.1')]
 
 dependencies = [
-    ('netCDF', '4.8.0'),
+    ('netCDF', '4.8.1'),
     ('JasPer', '2.0.33'),
     ('libjpeg-turbo', '2.0.6'),
     ('libpng', '1.6.37'),

+ 44 - 0
foss-2021b/ecCodes-2.24.2-gompi-2021b.eb

@@ -0,0 +1,44 @@
+easyblock = 'CMakeMake'
+
+name = 'ecCodes'
+version = '2.24.2'
+
+homepage = 'https://software.ecmwf.int/wiki/display/ECC/ecCodes+Home'
+description = """ecCodes is a package developed by ECMWF which provides an application programming interface and
+ a set of tools for decoding and encoding messages in the following formats: WMO FM-92 GRIB edition 1 and edition 2,
+ WMO FM-94 BUFR edition 3 and edition 4, WMO GTS abbreviated header (only decoding)."""
+
+toolchain = {'name': 'gompi', 'version': '2021b'}
+toolchainopts = {'usempi': False}
+
+source_urls = ['https://confluence.ecmwf.int/download/attachments/45757960/']
+sources = ['eccodes-%(version)s-Source.tar.gz']
+checksums = ['c60ad0fd89e11918ace0d84c01489f21222b11d6cad3ff7495856a0add610403']
+
+builddependencies = [('CMake', '3.21.1')]
+
+dependencies = [
+    ('netCDF', '4.8.1'),
+    ('JasPer', '2.0.33'),
+    ('libjpeg-turbo', '2.0.6'),
+    ('libpng', '1.6.37'),
+    ('zlib', '1.2.11'),
+]
+
+# Python bindings are provided by a separate package 'eccodes-python'
+configopts = "-DENABLE_NETCDF=ON -DENABLE_PNG=ON -DENABLE_PYTHON=OFF "
+configopts += "-DENABLE_JPG=ON -DENABLE_JPG_LIBJASPER=ON "
+configopts += "-DENABLE_ECCODES_THREADS=ON"  # multi-threading with pthreads
+
+local_exes = ['%s_%s' % (a, b)
+              for a in ['bufr', 'grib', 'gts', 'metar']
+              for b in ['compare', 'copy', 'dump', 'filter', 'get', 'ls']]
+local_exes += ['codes_%s' % c for c in ['count', 'info', 'split_file']]
+
+sanity_check_paths = {
+    'files': ['bin/%s' % x for x in local_exes] +
+             ['lib/libeccodes_f90.%s' % SHLIB_EXT, 'lib/libeccodes.%s' % SHLIB_EXT],
+    'dirs': ['include'],
+}
+
+moduleclass = 'tools'

+ 28 - 0
foss-2021b/eccodes-python-1.1.0-foss-2021b.eb

@@ -0,0 +1,28 @@
+easyblock = 'PythonPackage'
+
+name = 'eccodes-python'
+version = '1.1.0'
+
+homepage = 'https://github.com/ecmwf/eccodes-python'
+description = "Python 3 interface to decode and encode GRIB and BUFR files via the ECMWF ecCodes library."
+
+toolchain = {'name': 'foss', 'version': '2021b'}
+
+github_account = 'ecmwf'
+source_urls = [GITHUB_SOURCE]
+sources = ['%(version)s.tar.gz']
+checksums = ['c1b4986f2e44a1e5e37d9a38cb41ac97a4bd994edad1f8fce0342522f58b947e']
+
+dependencies = [
+    ('Python', '3.9.6'),
+    ('SciPy-bundle', '2020.11'),
+    ('ecCodes', '2.24.2'),
+]
+
+use_pip = True
+download_dep_fail = True
+sanity_pip_check = True
+
+options = {'modulename': 'eccodes'}
+
+moduleclass = 'tools'

+ 0 - 32
foss-2021b/flex-2.6.4.eb

@@ -1,32 +0,0 @@
-name = 'flex'
-version = '2.6.4'
-
-homepage = 'http://flex.sourceforge.net/'
-
-description = """
- Flex (Fast Lexical Analyzer) is a tool for generating scanners. A scanner,
- sometimes called a tokenizer, is a program which recognizes lexical patterns
- in text.
-"""
-
-toolchain = SYSTEM
-toolchainopts = {'pic': True}
-
-source_urls = ['https://github.com/westes/flex/releases/download/v%(version)s/']
-sources = [SOURCELOWER_TAR_GZ]
-checksums = ['e87aae032bf07c26f85ac0ed3250998c37621d95f8bd748b31f15b33c45ee995']
-
-builddependencies = [
-    ('Bison', '3.7.6'),
-    ('help2man', '1.47.4'),
-]
-
-dependencies = [
-    ('M4', '1.4.19'),
-]
-
-# glibc 2.26 requires _GNU_SOURCE defined to expose reallocarray in the correct
-# header, see https://github.com/westes/flex/issues/241
-preconfigopts = 'export CPPFLAGS="$CPPFLAGS -D_GNU_SOURCE" && '
-
-moduleclass = 'lang'

+ 0 - 27
foss-2021b/foss-2021b.eb

@@ -1,27 +0,0 @@
-easyblock = 'Toolchain'
-
-name = 'foss'
-version = '2021b'
-
-homepage = 'https://easybuild.readthedocs.io/en/master/Common-toolchains.html#foss-toolchain'
-description = """GNU Compiler Collection (GCC) based compiler toolchain, including
- OpenMPI for MPI support, OpenBLAS (BLAS and LAPACK support), FFTW and ScaLAPACK."""
-
-toolchain = SYSTEM
-
-local_gccver = '11.2.0'
-
-# toolchain used to build foss dependencies
-local_comp_mpi_tc = ('gompi', version)
-
-# we need GCC and OpenMPI as explicit dependencies instead of gompi toolchain
-# because of toolchain preparation functions
-dependencies = [
-    ('GCC', local_gccver),
-    ('OpenMPI', '4.1.1', '', ('GCC', local_gccver)),
-    ('FlexiBLAS', '3.0.4', '', ('GCC', local_gccver)),
-    ('FFTW', '3.3.9', '', local_comp_mpi_tc),
-    ('ScaLAPACK', '2.1.0', '-fb', local_comp_mpi_tc),
-]
-
-moduleclass = 'toolchain'

+ 0 - 20
foss-2021b/gompi-2021b.eb

@@ -1,20 +0,0 @@
-easyblock = 'Toolchain'
-
-name = 'gompi'
-version = '2021b'
-
-homepage = '(none)'
-description = """GNU Compiler Collection (GCC) based compiler toolchain,
- including OpenMPI for MPI support."""
-
-toolchain = SYSTEM
-
-local_gccver = '11.2.0'
-
-# compiler toolchain dependencies
-dependencies = [
-    ('GCC', local_gccver),  # includes both GCC and binutils
-    ('OpenMPI', '4.1.1', '', ('GCC', local_gccver)),
-]
-
-moduleclass = 'toolchain'

+ 36 - 0
foss-2021b/libunwind-1.5.0-GCCcore-11.2.0.eb

@@ -0,0 +1,36 @@
+easyblock = 'ConfigureMake'
+
+name = 'libunwind'
+version = '1.5.0'
+
+homepage = 'https://www.nongnu.org/libunwind/'
+description = """The primary goal of libunwind is to define a portable and efficient C programming interface
+ (API) to determine the call-chain of a program. The API additionally provides the means to manipulate the
+ preserved (callee-saved) state of each call-frame and to resume execution at any point in the call-chain
+ (non-local goto). The API supports both local (same-process) and remote (across-process) operation.
+ As such, the API is useful in a number of applications"""
+
+toolchain = {'name': 'GCCcore', 'version': '11.2.0'}
+
+source_urls = [GNU_SAVANNAH_SOURCE]
+sources = [SOURCE_TAR_GZ]
+patches = ['libunwind-1.3.1_fix_ppc64_fpreg_t.patch']
+checksums = [
+    '90337653d92d4a13de590781371c604f9031cdb50520366aa1e3a91e1efb1017',  # libunwind-1.5.0.tar.gz
+    '61a507eec7ece286b06be698c742f0016d8c605eaeedf34f451cf1d0e510ec86',  # libunwind-1.3.1_fix_ppc64_fpreg_t.patch
+]
+
+builddependencies = [('binutils', '2.37')]
+
+dependencies = [
+    ('XZ', '5.2.5'),
+]
+
+preconfigopts = 'export LD="ld.bfd" && export LIBS="$LIBS -llzma" && export CFLAGS="$CFLAGS -fno-common" && '
+
+sanity_check_paths = {
+    'files': ['include/libunwind.h', 'lib/libunwind.%s' % SHLIB_EXT],
+    'dirs': []
+}
+
+moduleclass = 'lib'

+ 0 - 63
foss-2021b/matplotlib-3.4.3-foss-2021b.eb

@@ -1,63 +0,0 @@
-easyblock = 'PythonBundle'
-
-name = 'matplotlib'
-version = '3.4.3'
-
-homepage = 'https://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': 'foss', 'version': '2021b'}
-
-builddependencies = [
-    ('pkg-config', '0.29.2'),
-    ('cppy', '1.1.0')
-]
-
-dependencies = [
-    ('Python', '3.9.6'),
-    ('SciPy-bundle', '2021.05'),
-    ('libpng', '1.6.37'),
-    ('freetype', '2.11.0'),
-    ('Tkinter', '%(pyver)s'),
-    ('Pillow', '8.3.1'),
-    ('Qhull', '2020.2')
-]
-
-use_pip = True
-sanity_pip_check = True
-
-# avoid that matplotlib downloads and builds its own copies of freetype and qhull
-_fix_setup = "sed -e 's/#system_freetype = False/system_freetype = True/g' "
-_fix_setup += "-e 's/#system_qhull = False/system_qhull = True/g' setup.cfg.template >setup.cfg && "
-
-_include_path = "export CPLUS_INCLUDE_PATH=$EBROOTFREETYPE/include/freetype2:${CPLUS_INCLUDE_PATH} && "
-
-exts_list = [
-    ('Cycler', '0.10.0', {
-        'modulename': 'cycler',
-        'source_tmpl': 'cycler-%(version)s.tar.gz',
-        'source_urls': ['https://pypi.python.org/packages/source/C/Cycler'],
-        'checksums': ['cd7b2d1018258d7247a71425e9f26463dfb444d411c39569972f4ce586b0c9d8'],
-    }),
-    ('kiwisolver', '1.3.1', {
-        'source_urls': ['https://pypi.python.org/packages/source/k/kiwisolver'],
-        'checksums': ['950a199911a8d94683a6b10321f9345d5a3a8433ec58b217ace979e18f16e248'],
-    }),
-    (name, version, {
-        'preinstallopts': _fix_setup + _include_path,
-        'source_urls': ['https://pypi.python.org/packages/source/m/matplotlib'],
-    }),
-]
-
-sanity_check_commands = [
-    """python -c 'import matplotlib; matplotlib.use("Agg"); import matplotlib.pyplot' """,
-    "python -c 'from mpl_toolkits.mplot3d import Axes3D'",
-]
-
-# use non-interactive plotting backend as default
-# see https://matplotlib.org/tutorials/introductory/usage.html#what-is-a-backend
-modextravars = {'MPLBACKEND': 'Agg'}
-
-moduleclass = 'vis'

+ 1 - 1
foss-2021b/ncview-2.1.8-gompi-2021b.eb

@@ -26,7 +26,7 @@ configopts = "--with-udunits2_incdir=$EBROOTUDUNITS/include --with-udunits2_libd
 configopts += "--with-nc-config=$EBROOTNETCDF/bin/nc-config"
 
 dependencies = [
-    ('netCDF', '4.8.0'),
+    ('netCDF', '4.8.1'),
     ('netCDF-Fortran', '4.5.3'),
     ('UDUNITS', '2.2.28'),
     ('X11', '20210802'),

+ 0 - 25
foss-2021b/netCDF-C++4-4.3.1-gompi-2021b.eb

@@ -1,25 +0,0 @@
-easyblock = 'ConfigureMake'
-
-name = 'netCDF-C++4'
-version = '4.3.1'
-
-homepage = 'https://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': 'gompi', 'version': '2021b'}
-toolchainopts = {'pic': True}
-
-source_urls = ['https://github.com/Unidata/netcdf-cxx4/archive/']
-sources = ['v%(version)s.tar.gz']
-checksums = ['e3fe3d2ec06c1c2772555bf1208d220aab5fee186d04bd265219b0bc7a978edc']
-
-dependencies = [('netCDF', '4.8.0')]
-
-sanity_check_paths = {
-    'files': ['include/netcdf', 'lib/libnetcdf_c++4.a', 'lib/libnetcdf_c++4.%s' % SHLIB_EXT],
-    'dirs': [],
-}
-
-moduleclass = 'data'

+ 42 - 0
foss-2021b/nodejs-16.15.1-GCCcore-11.2.0.eb

@@ -0,0 +1,42 @@
+easyblock = 'ConfigureMake'
+
+name = 'nodejs'
+version = '16.15.1'  # LTS on 2022-06-12
+local_libversion = '93'
+
+homepage = 'https://nodejs.org'
+description = """Node.js is a platform built on Chrome's JavaScript runtime
+ for easily building fast, scalable network applications. Node.js uses an
+ event-driven, non-blocking I/O model that makes it lightweight and efficient,
+ perfect for data-intensive real-time applications that run across distributed devices."""
+
+toolchain = {'name': 'GCCcore', 'version': '11.2.0'}
+
+source_urls = ['https://nodejs.org/dist/v%(version)s/']
+sources = ['node-v%(version)s.tar.gz']
+checksums = ['308aee7149c4092a53c87c28ef49e23a8d1606119e79ae68333062e2a1f94208']
+
+builddependencies = [
+    ('binutils', '2.37'),
+    ('Python', '3.9.6', '-bare'),
+]
+
+configopts = [
+    '--with-intl=none',           # Fully disable ICU to avoid issues with the embedded icu-small library
+    '--shared --with-intl=none',  # Build libnode.so in a second run
+]
+
+# Link libv8 libs to libnode
+postinstallcmds = [
+    "cd %%(installdir)s/lib; ln -s libnode.%s.%s libnode.%s" % (SHLIB_EXT, local_libversion, SHLIB_EXT),
+    "cd %%(installdir)s/lib; ln -s libnode.%s.%s libv8.%s" % (SHLIB_EXT, local_libversion, SHLIB_EXT),
+    "cd %%(installdir)s/lib; ln -s libnode.%s.%s libv8_libbase.%s" % (SHLIB_EXT, local_libversion, SHLIB_EXT),
+    "cd %%(installdir)s/lib; ln -s libnode.%s.%s libv8_libplatform.%s" % (SHLIB_EXT, local_libversion, SHLIB_EXT),
+]
+
+sanity_check_paths = {
+    'files': ['bin/node', 'bin/npm', 'lib/libnode.%s.%s' % (SHLIB_EXT, local_libversion)],
+    'dirs': ['lib/node_modules', 'include/node']
+}
+
+moduleclass = 'lang'

+ 3 - 0
foss-2021b/python2_install.sh

@@ -0,0 +1,3 @@
+pip2 install altair beautifulsoup4 bokeh cloudpickle cython dask dill h5py ipympl ipywidgets matplotlib pandas patsy protobuf scikit-image scikit-learn scipy seaborn sqlalchemy sympy widgetsnbextension xlrd basemap
+
+pip2 install alabaster antlr4-python3-runtime appdirs asn1crypto cffi cf-units atomicwrites attrdict attrs Babel bcrypt bitstring blist CacheControl cachy certifi chardet cleo click crashtest cryptography cycler Cython dask deap decorator deepmerge distlib docopt docutils ecdsa filelock flit flit-core fsspec future html5lib idna imagesize importlib-metadata iniconfig intervaltree intreehooks jeepney Jinja2 joblib jsonschema keyring keyrings.alt kiwisolver liac-arff lockfile MarkupSafe MetPy mock more-itertools mpmath netaddr netCDF4 netifaces nose numexpr numpy olefile OWSLib packaging pandas paramiko pastel pathlib2 pbr pexpect Pillow Pint pkginfo pluggy poetry poetry-core pooch psutil ptyprocess py pyasn1 pybind11 pycparser pycrypto Pygments pylev PyNaCl pyparsing pyrsistent pyshp pytest python-dateutil pytoml pytz PyYAML regex requests requests-toolbelt scandir SecretStorage setuptools setuptools-scm Shapely shellingham simplegeneric simplejson six snowballstemmer sortedcontainers Sphinx sphinxcontrib-applehelp sphinxcontrib-devhelp sphinxcontrib-htmlhelp sphinxcontrib-jsmath sphinxcontrib-qthelp sphinxcontrib-serializinghtml sphinxcontrib-websupport tabulate threadpoolctl toml tomlkit traitlets ujson urllib3 virtualenv wcwidth webencodings wget wheel xarray xlrd zipp pyproj geopandas pyresample Cartopy cdo plotly dash

+ 13 - 3
foss-2021b/python_install.sh

@@ -1,7 +1,17 @@
 #!/bin/bash
 
-pip install altair beautifulsoup4 bokeh bottleneck cloudpickle cython dask dill h5py ipympl ipywidgets matplotlib numba numexpr pandas patsy protobuf scikit-image scikit-learn scipy seaborn sqlalchemy statsmodels sympy widgetsnbextension xlrd basemap==1.2.* pyke==1.1.* --user
+pip install statsmodels==0.13.1 --user
 
-pip install alabaster antlr4-python3-runtime appdirs asn1crypto gsw cffi cf-units atomicwrites attrdict attrs Babel bcrypt bitstring blist Bottleneck CacheControl cachy certifi cftime chardet cleo click clikit colorama crashtest cryptography cycler Cython dask deap decorator deepmerge distlib docopt docutils ecdsa filelock flit flit-core fsspec future html5lib idna imagesize importlib-metadata iniconfig intervaltree intreehooks jeepney Jinja2 joblib jsonschema keyring keyrings.alt kiwisolver liac-arff lockfile MarkupSafe matplotlib MetPy mock more-itertools mpmath netaddr netCDF4 netifaces nose numexpr numpy olefile OWSLib packaging pandas paramiko pastel pathlib2 pbr pexpect Pillow Pint pkginfo pluggy poetry poetry-core pooch psutil ptyprocess py pyasn1 pybind11 pycparser pycrypto Pygments pylev PyNaCl pyparsing pyrsistent pyshp pytest python-dateutil pytoml pytz PyYAML regex requests requests-toolbelt scandir scipy SecretStorage setuptools setuptools-scm Shapely shellingham simplegeneric simplejson six snowballstemmer sortedcontainers Sphinx sphinxcontrib-applehelp sphinxcontrib-devhelp sphinxcontrib-htmlhelp sphinxcontrib-jsmath sphinxcontrib-qthelp sphinxcontrib-serializinghtml sphinxcontrib-websupport tabulate threadpoolctl toml tomlkit traitlets ujson urllib3 virtualenv wcwidth webencodings wget wheel xarray xlrd zipp pyproj geopandas pyresample Cartopy cdo --user
+pip install cairocffi pycairo PyGObject --user
 
-pip install tensorflow==2.5.0 --user
+pip install PyQt5 PySide2 --user
+
+pip install altair beautifulsoup4 bokeh bottleneck cloudpickle cython dask dill h5py ipympl ipywidgets numba patsy protobuf scikit-image scikit-learn seaborn sqlalchemy statsmodels sympy widgetsnbextension --user
+
+pip install antlr4-python3-runtime gsw cffi cf-units attrdict Babel bcrypt cftime deepmerge MetPy netCDF4 olefile OWSLib Pint pooch pyshp PyYAML traitlets wget xarray pyproj geopandas pyresample cdo plotly dash proplot --user
+
+pip install shapely cartopy --no-binary shapely --no-binary cartopy --user
+
+pip install tensorflow==2.8.0 --user
+
+vi $EBROOTMATPLOTLIB/lib/python3.9/site-packages/matplotlib/mpl-data/matplotlibrc

+ 21 - 0
intel-2021.04/HDF5-1.12.1-intel-compilers-2021.4.0.eb

@@ -0,0 +1,21 @@
+name = 'HDF5'
+version = '1.12.1'
+
+homepage = 'https://portal.hdfgroup.org/display/support'
+description = """HDF5 is a data model, library, and file format for storing and managing data.
+ It supports an unlimited variety of datatypes, and is designed for flexible
+ and efficient I/O and for high volume and complex data."""
+
+toolchain = {'name': 'intel-compilers', 'version': '2021.4.0'}
+toolchainopts = {'unroll': True, 'pic': True}
+
+source_urls = ['https://support.hdfgroup.org/ftp/HDF5/releases/hdf5-%(version_major_minor)s/hdf5-%(version)s/src']
+sources = [SOURCELOWER_TAR_GZ]
+checksums = ['79c66ff67e666665369396e9c90b32e238e501f345afd2234186bfb8331081ca']
+
+dependencies = [
+    ('zlib', '1.2.11'),
+    ('Szip', '2.1.1'),
+]
+
+moduleclass = 'data'

+ 5 - 5
foss-2021b/netCDF-4.8.0-gompi-2021b.eb → intel-2021.04/netCDF-4.8.1-intel-compilers-2021.4.0.eb

@@ -1,17 +1,17 @@
 name = 'netCDF'
-version = '4.8.0'
+version = '4.8.1'
 
 homepage = 'https://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': 'gompi', 'version': '2021b'}
-toolchainopts = {'pic': True, 'usempi': True}
+toolchain = {'name': 'intel-compilers', 'version': '2021.4.0'}
+toolchainopts = {'unroll': True, 'pic': True}
 
 source_urls = ['https://github.com/Unidata/netcdf-c/archive/']
 sources = ['v%(version)s.tar.gz']
-checksums = ['aff58f02b1c3e91dc68f989746f652fe51ff39e6270764e484920cb8db5ad092']
+checksums = ['bc018cc30d5da402622bf76462480664c6668b55eb16ba205a0dfb8647161dd0']
 
 builddependencies = [
     ('Autotools', '20210726'),
@@ -25,7 +25,7 @@ dependencies = [
     ('Szip', '2.1.1'),
 ]
 
-# HDF5 version detection is missed in netCDF 4.8.0 when HDF5_C_LIBRARY, HDF5_INCLUDE_DIR, and HDF5_HL_LIBRARY are set
+# HDF5 version detection is missed in netCDF 4.8.1 when HDF5_C_LIBRARY, HDF5_INCLUDE_DIR, and HDF5_HL_LIBRARY are set
 local_hdf5_version_fix = '-DHDF5_VERSION=$EBVERSIONHDF5'
 
 # make sure both static and shared libs are built

+ 3 - 3
foss-2021b/netCDF-Fortran-4.5.3-gompi-2021b.eb → intel-2021.04/netCDF-Fortran-4.5.3-intel-compilers-2021.4.0.eb

@@ -6,8 +6,8 @@ description = """NetCDF (network Common Data Form) is a set of software librarie
  and machine-independent data formats that support the creation, access, and sharing of array-oriented
  scientific data."""
 
-toolchain = {'name': 'gompi', 'version': '2021b'}
-toolchainopts = {'pic': True, 'usempi': True}
+toolchain = {'name': 'intel-compilers', 'version': '2021.4.0'}
+toolchainopts = {'unroll': True, 'pic': True}
 
 source_urls = ['https://github.com/Unidata/netcdf-fortran/archive/']
 sources = ['v%(version)s.tar.gz']
@@ -17,7 +17,7 @@ builddependencies = [
     ('M4', '1.4.19'),
 ]
 
-dependencies = [('netCDF', '4.8.0')]
+dependencies = [('netCDF', '4.8.1')]
 
 # (too) parallel build fails, but single-core build is fairly quick anyway (~1min)
 parallel = 1

+ 22 - 0
intel-2021b/test.sh

@@ -0,0 +1,22 @@
+#!/bin/bash
+root="/opt/easybuild/soft/2021b/software/impi/2021.4.0-intel-compilers-2021.4.0"
+
+module purge
+module load intel-compilers/2021.4.0
+module load UCX/.1.11.2-GCCcore-11.2.0
+
+export CMAKE_PREFIX_PATH=$root
+export CPATH=$root/mpi/2021.4.0/include
+export FI_PROVIDER_PATH=$root/mpi/2021.4.0/libfabric/lib/prov
+export LD_LIBRARY_PATH=$root/mpi/2021.4.0/lib
+export LD_LIBRARY_PATH=$root/mpi/2021.4.0/lib/release:$LD_LIBRARY_PATH
+export LD_LIBRARY_PATH=$root/mpi/2021.4.0/libfabric/lib:$LD_LIBRARY_PATH
+export LIBRARY_PATH=$root/mpi/2021.4.0/lib
+export LIBRARY_PATH=$root/mpi/2021.4.0/lib/release:$LIBRARY_PATH
+export LIBRARY_PATH=$root/mpi/2021.4.0/libfabric/lib:$LIBRARY_PATH
+export MANPATH=$root/mpi/2021.4.0/man
+export PATH=$root/mpi/2021.4.0/bin:$PATH
+export PATH=$root/mpi/2021.4.0/libfabric/bin:$PATH
+
+export I_MPI_ROOT=/opt/easybuild/soft/2021b/software/impi/2021.4.0-intel-compilers-2021.4.0/mpi/2021.4.0
+export UCX_TLS="/all"