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Merge pull request #33 from migueldiascosta/eb350
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prepare release notes for eb350
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boegel committed Dec 12, 2017
2 parents 2d81634 + 68b5586 commit 076742a
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45 changes: 45 additions & 0 deletions RELEASE_NOTES
Original file line number Diff line number Diff line change
Expand Up @@ -6,6 +6,51 @@ These release notes can also be consulted at http://easybuild.readthedocs.org/en
The latest version of easybuild-easyconfig provides 7,750 easyconfig files, for 1,307 different software packages,
26 different (compiler) toolchains, 13 software bundles and 1 meta-package.

v3.5.0 (December 12th 2017)
---------------------------

feature release
- added example easyconfig files for 38 new software packages:
- AmberMini (#5476), bat (#5416), CIRCexplorer (#5356), CIRCexplorer2 (#5470), CIRI (#5358), FALCON (#5265), FastaIndex (#5465), find_circ (#5348),
future (#5236), GRNBoost (#5373), GapCloser (#5465), glibc (#5428), HDFView (#5391), HPDBSCAN (#5371), Horovod (#5239), Hyperopt (#5455),
ITK (#5434), IntelClusterChecker (#4970), LAST (#5465), MDTraj (#5317), Meson (#5228), mkl-dnn (#5319), Ninja (#5228), OpenKIM-API (#5479),
PCRaster (#5386), PTESFinder (#5359), ParmEd (#5476), piSvM-JSC (#5316), piSvM (#5308), pyScaf (#5465), pybedtools (#5347), pymbar (#5476),
QIIME2 (#5355), QTLtools (#5361), Redundans (#5465), Rmath (#5361), SNAP (#5465), sbt (#5373)
- added additional easyconfigs for various supported software packages, including:
- ABINIT 8.4.4, ANTLR 2.7.7, ANTs 2.2.0, ASAP3 3.10.8, ASAP3 3.10.8, ASAP3 3.10.8, ASE 3.15.0, AmberMini 16.16.0, Anaconda2 5.0.1.eb, Anaconda3 5.0.1.eb, Armadillo 8.300.1, Autoconf 2.69, Autoconf 2.69, Autoconf 2.69, Autoconf 2.69, Autoconf 2.69, Autoconf 2.69, Automake 1.15, Automake 1.15, Automake 1.15, Automake 1.15, Automake 1.15, Automake 1.15, Autotools 20150215, Autotools 20150215, Autotools 20150215, Autotools 20150215, Autotools 20150215, Autotools 20150215, ant 1.10.1, arpack ng, arrow 0.7.1, BCFtools 1.6, BEDTools 2.26.0, BLAST+ 2.6.0, BWA 0.7.17, BWA 0.7.17, Bazel 0.7.0, BioPerl 1.7.2, Bismark 0.19.0, Blosc 1.12.1, Boost 1.63.0, Boost 1.65.1, Bowtie 1.2.1.1, Bowtie2 2.3.3.1, bat 0.3.3, bcl2fastq2 2.20.0, CDO 1.9.1, CFITSIO 3.42, CFITSIO 3.42, CGAL 4.11, CIRCexplorer 1.1.10, CIRCexplorer2 2.3.2, CIRI 2.0.6, CLHEP 2.3.4.3, CMake 3.10.0, CMake 3.9.5, Caffe 1.0, ClustalW2 2.1, Cufflinks 2.2.1, cURL 7.56.0, cURL 7.56.1, cairo 1.14.10, cairo 1.14.10, DFTB+ 17.1, ESMF 7.0.2, EasyBuild 3.4.1.eb, FALCON 1.8.8, FFTW 3.3.6, FFTW 3.3.7, FFTW 3.3.7, FFTW 3.3.7, FLANN 1.8.4, FastaIndex 0.11rc7, find_circ 1.2, freeglut 3.0.0, freeglut 3.0.0, future 0.16.0, future 0.16.0, GATE 8.0, GDAL 2.2.0, GDAL 2.2.2, GDAL 2.2.2, GDAL 2.2.3, GEOS 3.6.2, GEOS 3.6.2, GEOS 3.6.2, GEOS 3.6.2, GL2PS 1.4.0, GL2PS 1.4.0, GLib 2.53.5, GLib 2.54.2, GObject Introspection, GRNBoost 20171009, GapCloser 1.12, Geant4 10.03.p03, Ghostscript 9.22, Gurobi 7.5.2.eb, g2clib 1.6.0, g2lib 1.4.0, gflags 2.2.1, glibc 2.17, glibc 2.26, glog 0.3.5, gnuplot 5.2.2, grib_api 1.24.0, HDF 4.2.13, HDF5 1.10.1, HDF5 1.10.1, HDF5 1.8.17, HDF5 1.8.19, HDF5 1.8.19, HDFView 2.14, HDFView 2.14, HISAT2 2.1.0, HPCG 3.0, HPDBSCAN 20171110, HPL 2.2, HPL 2.2, HPL 2.2, HTSlib 1.6, HarfBuzz 1.7.1, Horovod 0.9.10, Hyperopt 0.1, h5py 2.7.1, h5py 2.7.1, ITK 4.12.2, ImageMagick 7.0.7, ImageMagick 7.0.7, IntelClusterChecker 2017.1.016.eb, InterProScan 5.26, icc 2017.5.239, icc 2018.0.128, icc 2018.1.163, iccifort 2017.5.239, iccifort 2018.0.128, iccifort 2018.1.163, ifort 2017.5.239, ifort 2018.0.128, ifort 2018.1.163, iimpi 2017.09.eb, iimpi 2018.00.eb, iimpi 2018.01.eb, imkl 2017.3.196, imkl 2017.4.239, imkl 2018.0.128, imkl 2018.1.163, impi 2017.4.239, impi 2018.0.128, impi 2018.1.163, intel 2017.09.eb, intel 2018.00.eb, intel 2018.01.eb, intltool 0.51.0, JUnit 4.12, JasPer 1.900.1, JasPer 2.0.14, Java 1.8.0_152.eb, jemalloc 5.0.1, Kent_tools 20171107, Keras 2.1.1, Keras 2.1.1, Keras 2.1.2, LAST 914, LIBSVM 3.22, LLVM 4.0.1, LLVM 5.0.0, LLVM 5.0.0, LMDB 0.9.21, LZO 2.09, LevelDB 1.18, LibTIFF 4.0.8, LibTIFF 4.0.9, LibTIFF 4.0.9, LibTIFF 4.0.9, LibUUID 1.0.3, LittleCMS 2.9, libGLU 9.0.0, libGLU 9.0.0, libconfig 1.7.1, libdap 3.19.1, libdrm 2.4.88, libgd 2.2.5, libiconv 1.15, libsndfile 1.0.28, libtool 2.4.6, libtool 2.4.6, libtool 2.4.6, libtool 2.4.6, libtool 2.4.6, libtool 2.4.6, libxc 2.2.3, libxc 3.0.0, libxc 3.0.1, libxc 3.0.1, libxc 4.0.1, libxc 4.0.3, libxc 4.0.3, libxml2 2.9.6, M4 1.4.17, M4 1.4.18, MACS2 2.1.1.20160309, MDTraj 1.9.1, Mako 1.0.7, Mako 1.0.7, Mako 1.0.7, Mesa 17.2.4, Mesa 17.2.5, Meson 0.43.0, Mono 5.4.1.6, MultiQC 1.2, makedepend 1.0.5, matplotlib 2.1.0, matplotlib 2.1.0, mkl dnn, molmod 1.4.3, molmod 1.4.3, motif 2.3.8, mpi4py 3.0.0, NAMD 2.12, NCL 6.4.0, NCO 4.7.0, NLopt 2.4.2, NLopt 2.4.2, Ninja 1.8.2, ncview 2.1.7, netCDF C++4, netCDF Fortran, netCDF Fortran, netCDF Fortran, netCDF 4.4.1.1, netCDF 4.4.1.1, netCDF 4.4.1.1, netCDF 4.5.0, netCDF 4.5.0, netCDF 4.5.0, netCDF 4.5.0, netcdf4 python, networkx 2.0, numexpr 2.6.4, numexpr 2.6.4, OpenFOAM 5.0, OpenKIM API, OpenKIM API, OpenMM 7.1.1, PCL 1.8.1, PCRE 8.39, PCRaster 4.1.0, PROJ 4.9.3, PROJ 4.9.3, PTESFinder 1, Pango 1.40.14, ParaView 5.4.1, ParmEd 2.7.3, Perl 5.26.0, Perl 5.26.0, Primer3 2.3.7, PyTables 3.4.2, PyTables 3.4.2, PyYAML 3.12, PyYAML 3.12, Pysam 0.12.0.1, Pysam 0.12.0.1, Pysam 0.13, Python 2.7.14, Python 2.7.14, Python 3.6.2, Python 3.6.3, Python 3.6.3, pandas 0.21.0, pandas 0.21.0, parallel 20171022, parallel 20171122, patchelf 0.9, piSvM JSC, piSvM 1.3, pkgconfig 1.2.2, pkgconfig 1.2.2, protobuf python, prot
- minor enhancements, including:
- add SHA256 checksums to Autoconf (#5304), Automake (#5305), libtool (#5306) and M4 (#5307) easyconfigs
- avoid hardcoding extension versions in worker easyconfig, include 'perl' as OS dep (#5324)
- enable building ScaLAPACK in parallel with enhanced ScaLAPACK easyblocks (#5331)
- include RInside extension in R 3.4.0 easyconfig (#5354)
- enable running of tests for mkl-dnn and include patch to make them pass (#5362)
- clean up configure options that are now handled by R easyblock (#5478)
- update Octave easyconfigs to use Octave easyblock, add extensions for latest Octave versions (#5484)
- specify that EasyBuild v3.5.0 is required in updated R easyconfigs (#5485)
- add patch for signal package in Octave 4.2.1 easyconfigs (+ add SHA256 checksums) (#5503)
- various bug fixes, including:
- add missing extensions required by MultiQC & stick to networkx (#5240)
- fix checksum for OpenFOAM 5.0 source tarball (#5241)
- disable optarch when using intel compilers and enable tests in all libxc easyconfigs (#5256, #5257)
- avoid downloads when installing matplotlib 2.1.0 w/ Python 2.7.14 (#5267)
- fix $CPATH in recent libffi easyconfigs + enhance sanity check & add checksum (#5271)
- use Github source and run autogen.sh (#5286)
- add hwloc to GROMACS dependencies (#5295)
- consistently fix source_urls for numactl v2.0.11 (#5296)
- consistently fix source_urls for older numactl versions (#5297)
- add missing Automake and libtool deps to numactl-2.0.11 (#5299)
- consistently add Autotools as build dep for numactl 2.0.11 (#5302)
- enable running of tests for mkl-dnn and include patch to make them pass (#5362)
- fix source_urls (& sources spec) for GATE (#5367)
- consistently add Autotools build dep in recent netCDF easyconfigs (#5394)
- fix check for binutils build dep when GCCcore used as toolchain (#5436)
- libdap 3.19.1 checksum changed (#5473)
- disable new rfkill feature in util-linux that requires recent kernel (#5480)
- add missing PROJ dependency in recent GDAL easyconfigs (#5481)
- fix name in TensorFlow easyconfigs (#5495)
- add patch for signal package in Octave 4.2.1 easyconfigs (+ add SHA256 checksums) (#5503)


v3.4.1 (October 17th 2017)
--------------------------

Expand Down
26 changes: 26 additions & 0 deletions easybuild/easyconfigs/b/Blosc/Blosc-1.12.1-intel-2017a.eb
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@@ -0,0 +1,26 @@
easyblock = 'CMakeMake'

name = 'Blosc'
version = '1.12.1'

homepage = 'http://www.blosc.org/'
description = "Blosc, an extremely fast, multi-threaded, meta-compressor library"

toolchain = {'name': 'intel', 'version': '2017a'}

source_urls = ['https://github.com/Blosc/c-blosc/archive/']
sources = ['v%(version)s.tar.gz']
patches = ['Blosc-%(version)s_fix-aligned_alloc.patch']
checksums = [
'e04535e816bb942bedc9a0ba209944d1eb34e26e2d9cca37f114e8ee292cb3c8', # v1.12.1.tar.gz
'be2dfd5a96f4293d7be9fab06620a1ef2c3c3100314af9b39b7c6ea1213ee8e5', # Blosc-1.12.1_fix-aligned_alloc.patch
]

builddependencies = [('CMake', '3.9.1')]

sanity_check_paths = {
'files': ['include/blosc-export.h', 'include/blosc.h', 'lib/libblosc.a', 'lib/libblosc.%s' % SHLIB_EXT],
'dirs': [],
}

moduleclass = 'lib'
13 changes: 13 additions & 0 deletions easybuild/easyconfigs/b/Blosc/Blosc-1.12.1_fix-aligned_alloc.patch
Original file line number Diff line number Diff line change
@@ -0,0 +1,13 @@
fix for "undefined reference to `aligned_alloc'" on CentOS 6.x
author: Kenneth Hoste (HPC-UGent)
--- c-blosc-1.12.1/tests/test_common.h.orig 2017-12-08 18:25:53.622934199 +0100
+++ c-blosc-1.12.1/tests/test_common.h 2017-12-08 18:26:11.973155771 +0100
@@ -62,7 +62,7 @@
void *block = NULL;
int32_t res = 0;

-#if _ISOC11_SOURCE || (__STDC_VERSION__ >= 201112L && !defined(__APPLE__))
+#if _ISOC11_SOURCE && __STDC_VERSION__ >= 201112L && !defined(__APPLE__)
/* C11 aligned allocation. 'size' must be a multiple of the alignment. */
block = aligned_alloc(alignment, size);
#elif defined(_WIN32)
Original file line number Diff line number Diff line change
@@ -0,0 +1,28 @@
easyblock = 'PythonPackage'

name = 'numexpr'
version = '2.6.4'
versionsuffix = '-Python-%(pyver)s'

homepage = 'http://code.google.com/p/numexpr/'
description = """The numexpr package evaluates multiple-operator array expressions many times faster than NumPy can.
It accepts the expression as a string, analyzes it, rewrites it more efficiently, and compiles it on the fly into
code for its internal virtual machine (VM). Due to its integrated just-in-time (JIT) compiler, it does not require a
compiler at runtime."""

toolchain = {'name': 'intel', 'version': '2017a'}

source_urls = ['https://github.com/pydata/numexpr/archive/']
sources = ['v%(version)s.tar.gz']
checksums = ['049da1c07bd62d2aba29887130ccc9aff9b90962cb779a7b7ddc15e580368fba']

dependencies = [
('Python', '3.6.1'),
]

sanity_check_paths = {
'files': [],
'dirs': ['lib/python%(pyshortver)s/site-packages'],
}

moduleclass = 'math'
17 changes: 14 additions & 3 deletions easybuild/easyconfigs/o/Octave/Octave-4.2.1-intel-2017a.eb
Original file line number Diff line number Diff line change
Expand Up @@ -9,8 +9,11 @@ toolchainopts = {'cstd': 'c++11'}

source_urls = [GNU_SOURCE]
sources = [SOURCELOWER_TAR_GZ]

patches = ['%(name)s-%(version)s_intel.patch']
checksums = [
'80c28f6398576b50faca0e602defb9598d6f7308b0903724442c2a35a605333b', # octave-4.2.1.tar.gz
'f35b6e28f1ceaf7e67c935544ad2547931a30cd03ab0a1587715c6bd94521de9', # Octave-4.2.1_intel.patch
]

builddependencies = [
('Bison', '3.0.4'),
Expand Down Expand Up @@ -54,8 +57,16 @@ pkg_url = 'https://downloads.sourceforge.net/project/octave/Octave%20Forge%20Pac
exts_default_options = {'source_urls': [pkg_url]}

exts_list = [
('control', '3.0.0'),
('signal', '1.3.2'),
('control', '3.0.0', {
'checksums': ['41e9a5627565444140cf8bb8cf978239245355a6fc7d61ff122327d8f822eca6'],
}),
('signal', '1.3.2', {
'patches': ['signal-1.3.2_fix-formula.patch'],
'checksums': [
'a277f12e9f47cc66a8c56ab26284ac4839b223f32de13e35e710401fd0539b60', # signal-1.3.2.tar.gz
'a3defda6cebbe0ac9fa77230e4a69f1b15f0fdc54ac7a11d4aac2302e95eabdd', # signal-1.3.2_fix-formula.patch
],
}),
]

moduleclass = 'math'
14 changes: 14 additions & 0 deletions easybuild/easyconfigs/o/Octave/signal-1.3.2_fix-formula.patch
Original file line number Diff line number Diff line change
@@ -0,0 +1,14 @@
fix for bug in gausswin making it produce wrong results
see https://savannah.gnu.org/bugs/index.php?51657
author: Kenneth Hoste (HPC-UGent)
--- signal-1.3.2/inst/gausswin.m.orig 2017-12-11 14:27:49.593981000 +0100
+++ signal-1.3.2/inst/gausswin.m 2017-12-11 14:30:59.032409000 +0100
@@ -37,7 +37,7 @@
a = 2.5;
endif

- w = exp ( -0.5 * ( a/m * [ -(m-1) : 2 : m-1 ]' ) .^ 2 );
+ w = exp ( -0.5 * ( a/(m-1) * [ -(m-1) : 2 : m-1 ]' ) .^ 2 );

endfunction

Original file line number Diff line number Diff line change
@@ -0,0 +1,42 @@
easyblock = 'PythonPackage'

name = 'PyTables'
version = '3.4.2'
versionsuffix = '-Python-%(pyver)s'

homepage = 'http://www.pytables.org'
description = """PyTables is a package for managing hierarchical datasets and designed to efficiently and easily cope
with extremely large amounts of data. PyTables is built on top of the HDF5 library, using the Python language and the
NumPy package. It features an object-oriented interface that, combined with C extensions for the performance-critical
parts of the code (generated using Cython), makes it a fast, yet extremely easy to use tool for interactively browse,
process and search very large amounts of data. One important feature of PyTables is that it optimizes memory and disk
resources so that data takes much less space (specially if on-flight compression is used) than other solutions such as
relational or object oriented databases."""

toolchain = {'name': 'intel', 'version': '2017a'}
toolchainopts = {'usempi': True}

source_urls = ['https://github.com/PyTables/PyTables/archive/']
sources = ['v%(version)s.tar.gz']
patches = ['pyTables-%(version)s-fix-libs.patch']
checksums = [
'629a0227bb2b315c5d97629073696609eaee41d0fc89e03f997412613cd46d3a', # v3.4.2.tar.gz
'f34a05573e7843e67dab011bede8436074362041747c028b409fac9f599231a3', # pyTables-3.4.2-fix-libs.patch
]

dependencies = [
('Python', '3.6.1'),
('numexpr', '2.6.4', versionsuffix),
('HDF5', '1.8.19'),
('LZO', '2.10'),
('Blosc', '1.12.1'),
]

sanity_check_paths = {
'files': ['bin/%s' % x for x in ['pt2to3', 'ptdump', 'ptrepack']],
'dirs': ['lib/python%(pyshortver)s/site-packages'],
}

options = {'modulename': 'tables'}

moduleclass = 'data'

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