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Merge pull request #10650 from easybuilders/4.2.x
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release EasyBuild 4.2.1
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boegel authored May 20, 2020
2 parents 8ebc42f + ce0318a commit 8047835
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4 changes: 3 additions & 1 deletion .github/workflows/unit_tests.yml
Original file line number Diff line number Diff line change
Expand Up @@ -55,7 +55,7 @@ jobs:
cd easybuild-framework; git log -n 1; cd -
pip install $PWD/easybuild-framework
git clone -b $BRANCH --depth 10 --single-branch https://github.com/hpcugent/easybuild-easyblocks.git
git clone -b $BRANCH --depth 10 --single-branch https://github.com/easybuilders/easybuild-easyblocks.git
cd easybuild-easyblocks; git log -n 1; cd -
pip install $PWD/easybuild-easyblocks
Expand Down Expand Up @@ -149,6 +149,8 @@ jobs:

- name: set up Python
uses: actions/setup-python@v1
with:
python-version: ${{matrix.python}}

- name: Create source distribution
run: python setup.py sdist
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4 changes: 2 additions & 2 deletions .travis.yml
Original file line number Diff line number Diff line change
Expand Up @@ -27,10 +27,10 @@ install:
- if [ "x$TRAVIS_BRANCH" = 'xmaster' ]; then BRANCH=master; fi
- if [ "x$TRAVIS_BRANCH" = 'x4.x' ]; then BRANCH=4.x; fi
- cd $HOME
- git clone -b $BRANCH --depth 10 --single-branch https://github.com/hpcugent/easybuild-framework.git
- git clone -b $BRANCH --depth 10 --single-branch https://github.com/easybuilders/easybuild-framework.git
- cd easybuild-framework; git log -n 1; cd -
- pip install $PWD/easybuild-framework
- git clone -b $BRANCH --depth 10 --single-branch https://github.com/hpcugent/easybuild-easyblocks.git
- git clone -b $BRANCH --depth 10 --single-branch https://github.com/easybuilders/easybuild-easyblocks.git
- cd easybuild-easyblocks; git log -n 1; cd -
- pip install $PWD/easybuild-easyblocks
# install environment modules tool using 'install_eb_dep.sh' script provided by easybuild-framework
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82 changes: 80 additions & 2 deletions RELEASE_NOTES
Original file line number Diff line number Diff line change
Expand Up @@ -3,9 +3,88 @@ For more detailed information, please see the git log.

These release notes can also be consulted at http://easybuild.readthedocs.org/en/latest/Release_notes.html.

The latest version of easybuild-easyconfig provides 9,462 easyconfig files, for 1,912 different software packages,
The latest version of easybuild-easyconfig provides 9,894 easyconfig files, for 1,978 different software packages,
incl. 31 different (compiler) toolchains.

v4.2.1 (May 20th 2020)
----------------------

update/bugfix release

- added easyconfigs for new common toolchains: foss/2020a (#10483, #10492), intel/2020a (#10494)
- added example easyconfig files for 66 new software packages:
- Alpha (#9994), antiSMASH (#10589), Arlequin (#10620), artic-ncov2019 (#10459), augur (#10405), AutoMap (#10419),
Bio-EUtilities (#10037), CaSpER (#10593), cdbfasta (#10547), cddlib (#10429), CoCoALib (#10429)
dftd3-lib (#10351), DoubletFinder (#10603), E-ANTIC (#10429), FastViromeExplorer (#10571), FIX (#8870),
FusionCatcher (#10134), geopandas (#10322), goalign (#10469), gotree (#10459), gretl (#10413), harmony (#10604),
HDF-EOS (#10534), HDF-EOS5 (#10536), HMMER2 (#10588), HyPo (#10642), king (#10365), libdeflate (#10459),
libfabric (#10616), libgit2 (#10453), libuv (#10444), mbuffer (#10524), MDAnalysis (#10545), MEM (#10605),
MESS (#10597), metaerg (#10037), MinCED (#10037), MitoZ (#7735), nauty (#10429), nifti2dicom (#10598),
NLMpy (#10029), ntCard (#10502), NTL (#10431), pIRS (#10508), popscle (#10550), ProtHint (#10549),
protozero (#10495), pysndfx (#10452), PyVCF (#10564), PyWavelets (#10501), rampart (#10459), rickflow (#10641),
RNA-Bloom (#10502), root_numpy (#10424), rstudio (#10619), ScaFaCoS (#10537), Scythe (#10524), SDSL (#10642),
SHAP (#10379), SNPomatic (#10524), SoX (#10452), swissknife (#10037),) Taiyaki (#10573), TCLAP (#10598),
torchaudio (#10516), wtdbg2 (#10524)
- added additional easyconfigs for various supported software packages, including:
- ADF 2019.303, BRAKER 2.1.5, Bazel 2.0.0, Bonito 0.1.4, Boost.Python 1.72.0, Bowtie2 2.4.1, CMake 3.16.4,
CPLEX 12.10, CVXOPT 1.2.4, Coreutils 8.32, cURL 7.69.1, DFTB+ 19.1, ecCodes 2.17.0, expat 2.2.9, FFmpeg 4.2.2,
FriBidi 1.0.9, GATK 4.1.5.0, GCC(core) 10.1.0, GDAL 3.0.4, GEOS 3.8.1, GLib 2.64.1, GMP 6.2.0, GROMACS 2020.1,
GTK+ 3.24.17, GenomeThreader 1.7.3, GffCompare 0.11.6, Ghostscript 9.52, GlimmerHMM 3.0.4c, GlobalArrays 5.7.2,
gmpy2 2.1.0b4, gmsh 4.5.6, gpustat 0.6.0, gradunwarp 1.2.0, HDF5 1.10.6, hwloc 2.2.0, hypothesis 5.6.0, ICU 66.1,
IPython 7.13.0, ImageMagick 7.0.10, Julia 1.4.1, KMC 3.1.2rc1, Kraken2 2.0.9, LMfit 1.0.0, Longshot 0.4.1,
libarchive 3.4.2, libffcall 2.2, libffi 3.3, libgd 2.3.0, libjpeg-turbo 2.0.4, librsvg 2.48.4, libsigsegv 2.12,
lrslib 7.0a, MEME 5.1.1, MPC 1.1.0, Mako 1.1.2, Mesa 20.0.2, Meson 0.53.2, MotionCor2 1.3.1, MultiQC 1.8,
matplotlib 3.2.1, NGS-Python-2.10.4, NGS 2.10.4, NSPR 4.25, NSS 3.51, NWChem 7.0.0, Nextflow 20.04.1,
Ninja 1.10.0, Normaliz 3.7.4, nanopolish 0.13.1, ncbi-vdb 2.10.4 netCDF 4.7.4, OpenBLAS 0.3.9, OpenEXR 2.4.1,
OpenMPI 4.0.3, OpenSSL 1.1.1e, openpyxl 3.0.3, PAPI 6.0.0, PCRE 8.44, PCRE2 10.34, PLUMED 2.6.0, PMIx 3.1.5,
PROJ 7.0.0, Perl 5.30.2, Pillow 7.0.0, PyYAML 5.3, Python 2.7.18 + 3.8.2, parallel 20200422, Qt5 5.14.1,
R-bundle-Bioconductor 3.11, R 3.6.3 + 4.0.0, RMBlast 2.9.0, Racon 1.4.13, Ray 0.8.4, Rust 1.42.0, re2c 1.3,
rioxarray 0.0.24, rootpy 1.0.1, rstudio 1.2.5042, SCons 3.1.2, SDL2 2.0.10, SIONlib 1.7.6, SQLite 3.31.1,
SRA-Toolkit 2.10.4, Salmon 1.2.0, ScaLAPACK 2.1.0, SciPy-bundle 2020.03, Stacks 2.53, StringTie 2.1.1,
SuiteSparse 5.7.1, snappy 1.1.8, spaln 2.4.03, sympy 1.5.1, Tcl 8.6.10, TensorFlow 2.2.0, Tk 8.6.10, Tkinter 3.8.2,
tbl2asn 20200302, torchvision 0.5.0, UCX 1.8.0, UMI-tools 1.0.1, utf8proc 2.5.0, util-linux 2.35, worker 1.6.12,
wxWidgets 3.1.3, X11 20200222, XZ 5.2.5, x264 20191217, x265 3.3, zsh 5.8, zstd 1.4.4
- minor enhancements, including:
- add additional extensions for recent versions of R (#10359, #10585, #10586, #10621) and R-bundle-Bioconductor (#10585, #10596, #10621)
- add additional extensions for recent versions of Perl (#10412, #10546, #10623)
- include LLVM linker in Clang 7.0.1 on GCC 7.3.0-2.30(#10458)
- include static lib and header in nimimap2 easyconfigs for foss-2018b and GCC-8.2.0* (#10464)
- add alternate checksum for EMBOSS (#10607)
- various bug fixes, including:
- fix incorrect checksums for Amber patches (#8870)
- add patches to fix installation of R 3.6.2 on POWER (#9830)
- add missing build dep. pkg-config in GObject-Introspection 1.63.1 w/ Python 3.7.4 easyconfig (#10380)
- add Perl as a build dependency for recent Autoconf/Automake easyconfigs (#10408, #10426)
- fix source_urls in ICU easyconfigs (#10417)
- disable USER-INTEL package in LAMMPS easyconfigs using intel/2019b, since it results in an installation that produces incorrect results (#10418)
- fix undefined reference to 'qfloat16::mantissatable' in Qt5-5.13.1-GCCcore-8.3.0 (#10425)
- get rid of double '-' in versionsuffix of torchtext easyconfig (#10472)
- fix broken Mako easyconfigs (#10480, #10627)
- move builddependencies to dependencies in OTF2 and Score-P easyconfigs (#10496)
- add missing cURL dep for LAMMPS (#10527)
- add Python 2 build dependency for OpenPGM (#10539)
- use OS_PKG_IBVERBS_DEV constant for OS dependency in PyTorch 1.4.0 easyconfigs (#10540)
- add missing Bison build dep in Graphviz easyconfigs (#10541)
- use https in homepage for Mathematica 12.0.0 + clean up sanity check commands (now done by easyblock) (#10559)
- add missing PyVCF dependency for BAMSurgeon (#10564)
- remove FFTW dependencies from LAMMPS easyconfigs, no longer needed (MKL can be used too now) (#10565)
- fix ITK v5.0.1 easyconfig w.r.t. locale and location of libjpeg-turbo library (#10592)
- add patch to fix missing const qualifiers for ncurses (#10606)
- fix OS dependency for rstudio for Debian-based systems (#10608)
- fix Rmath paths in easyconfig for FastQTL v2.184 (#10612)
- add symlink for Arlequin commands + fix sanity check commands (#10620)
- fix recent binutils easyconfigs usign system toolchain for Fedora 32 / GCC 10 (#10633)
- replace '/path/to' with actual installation prefix in FuSeq scripts (#10640)
- other changes:
- check sdist with different Python versions in CI (#10388)
- use Bison 3.3.2 as build dep for flex 2.6.4 (#10403)
- mention http:// Pfam website rather than ftp:// in load message of BiG-SCAPE easyconfig (#10439)
- archive old Singularity configs (#10591)
- Singularity is not well suited to install via EasyBuild because it requires admin privileges to enable setuid
- stop using old hpcugent URL for cloning framework/easyblocks repos in CI (#10635)
- use SYSTEM constant for toolchain in easyconfigs already use 'system' toolchain (#10638)


v4.2.0 (April 14th 2020)
------------------------

Expand Down Expand Up @@ -101,7 +180,6 @@ feature release
- ensure that CVS easyconfigs are included in source tarball produced by 'python setup.py sdist' (#10326)
- fix undefined reference error due to libxc 4.3.4 built with CMake (#10356)
- fix source_urls for tbb: use (new) official 'oneapi-src' GitHub repository (#10361)
- add missing build dependency on pkg-config in GObject-Introspection 1.63.1 w/ Python 3.7.4 easyconfig (#10380)
- update checksums and homepage in tbb easyconfigs (#10285)
- other changes:
- use new custom easyblock in recent CMake easyconfigs (#9871, #9923)
Expand Down
30 changes: 30 additions & 0 deletions easybuild/easyconfigs/0/4ti2/4ti2-1.6.9-GCC-8.2.0-2.31.1.eb
Original file line number Diff line number Diff line change
@@ -0,0 +1,30 @@
easyblock = 'ConfigureMake'

name = '4ti2'
version = '1.6.9'

homepage = 'https://4ti2.github.io/'
description = """A software package for algebraic, geometric and combinatorial problems on linear spaces"""

toolchain = {'name': 'GCC', 'version': '8.2.0-2.31.1'}

github_account = '4ti2'
source_urls = [GITHUB_SOURCE]
sources = ['Release_%s.tar.gz' % '_'.join(version.split('.'))]
checksums = ['7b1015718102d8cd4dc2de64f69094fdba0bc69a1878ada5960979b171ff89e4']

dependencies = [
('GMP', '6.1.2'),
('GLPK', '4.65'),
]

builddependencies = [('Autotools', '20180311')]

preconfigopts = './autogen.sh && '

sanity_check_paths = {
'files': ['bin/%s' % x for x in ['4ti2gmp', '4ti2int32', '4ti2int64']],
'dirs': ['include/4ti2', 'lib', 'share/4ti2']
}

moduleclass = 'math'
34 changes: 34 additions & 0 deletions easybuild/easyconfigs/a/ADF/ADF-2019.303-intelmpi.eb
Original file line number Diff line number Diff line change
@@ -0,0 +1,34 @@
easyblock = 'Tarball'

name = 'ADF'
version = '2019.303'
versionsuffix = '-intelmpi'

homepage = 'https://www.scm.com/ADF/'
description = """ADF is an accurate, parallelized, powerful computational chemistry program to understand and
predict chemical structure and reactivity with density functional theory (DFT)."""

toolchain = SYSTEM

sources = ['adf%(version)s.pc64_linux.intelmpi.bin.tgz']
checksums = ['62f73d2bc37bfc7891c1b10e83abccae317f7751f2a7b88976b24d16ef2b771a']

keepsymlinks = True

sanity_check_paths = {
'files': [],
'dirs': ['atomicdata', 'bin', 'examples'],
}

modextravars = {
'ADFHOME': '%(installdir)s',
'ADFBIN': '%(installdir)s/bin',
'ADFRESOURCES': '%(installdir)s/atomicdata',
}

modloadmsg = """These environment variables need to be defined before using ADF:
* $SCMLICENSE: path to ADF license file
* $SCM_TMPDIR: path to user scratch directory
"""

moduleclass = 'chem'
Original file line number Diff line number Diff line change
@@ -0,0 +1,35 @@
# This file is an EasyBuild reciPY as per https://easybuilders.github.io/easybuild/
# Author: Pablo Escobar Lopez
# sciCORE - University of Basel
# SIB Swiss Institute of Bioinformatics

easyblock = 'CmdCp'

name = 'ARAGORN'
version = '1.2.38'

# HTTPS not working
homepage = 'http://mbio-serv2.mbioekol.lu.se/ARAGORN/'
description = "a program to detect tRNA genes and tmRNA genes in nucleotide sequences"

toolchain = {'name': 'iccifort', 'version': '2019.5.281'}

source_urls = ['http://mbio-serv2.mbioekol.lu.se/ARAGORN/Downloads/']
sources = ['%(namelower)s%(version)s.tgz']
checksums = ['4b84e3397755fb22cc931c0e7b9d50eaba2a680df854d7a35db46a13cecb2126']

cmds_map = [(".*", "$CC $CFLAGS -o aragorn aragorn%(version)s.c")]

files_to_copy = [
(['aragorn'], 'bin'),
(['aragorn.1'], 'share/man/man1'),
]

sanity_check_paths = {
'files': ['bin/aragorn'],
'dirs': ['share/man'],
}

sanity_check_commands = ['aragorn --help']

moduleclass = 'bio'
39 changes: 39 additions & 0 deletions easybuild/easyconfigs/a/ATK/ATK-2.36.0-GCCcore-9.3.0.eb
Original file line number Diff line number Diff line change
@@ -0,0 +1,39 @@
easyblock = 'MesonNinja'

name = 'ATK'
version = '2.36.0'

homepage = 'https://developer.gnome.org/atk/'
description = """
ATK provides the set of accessibility interfaces that are implemented by other
toolkits and applications. Using the ATK interfaces, accessibility tools have
full access to view and control running applications.
"""

toolchain = {'name': 'GCCcore', 'version': '9.3.0'}

source_urls = [FTPGNOME_SOURCE]
sources = [SOURCELOWER_TAR_XZ]
checksums = ['fb76247e369402be23f1f5c65d38a9639c1164d934e40f6a9cf3c9e96b652788']

builddependencies = [
('binutils', '2.34'),
('Meson', '0.53.2', '-Python-3.8.2'),
('Ninja', '1.10.0'),
('pkg-config', '0.29.2'),
('GObject-Introspection', '1.64.0', '-Python-3.8.2'),
]

dependencies = [
('GLib', '2.64.1'),
]

configopts = "--buildtype=release --default-library=both "
configopts += "-Dintrospection=true "

sanity_check_paths = {
'files': ['lib/libatk-1.0.%s' % SHLIB_EXT],
'dirs': [],
}

moduleclass = 'vis'
Original file line number Diff line number Diff line change
Expand Up @@ -21,7 +21,7 @@ patches = [
]
checksums = [
'2fc5f9fd2f0c3bba2924df42ffaf55b5c130228cea18efdb3b6dfab9efa8c9f4', # v3.3.3.tar.gz
'1e158b2241aa86077ae3b1b13ec7f26fbaf3fc49632afdc564fab88ac897e9a0', # AUGUSTUS-3.3.3_fix-hardcoding.patch
'414907ab65cd27df33508f7d0c2fde4cc5e6ffd9fb7be9357d1488851e480e94', # AUGUSTUS-3.3.3_fix-hardcoding.patch
]

dependencies = [
Expand Down
63 changes: 63 additions & 0 deletions easybuild/easyconfigs/a/AUGUSTUS/AUGUSTUS-3.3.3-intel-2019b.eb
Original file line number Diff line number Diff line change
@@ -0,0 +1,63 @@
# Updated by: Pavel Grochal (INUITS)
# License: GPLv2

easyblock = 'ConfigureMake'

name = 'AUGUSTUS'
version = '3.3.3'

# HTTPS doesn't work
homepage = 'http://bioinf.uni-greifswald.de/augustus/'
description = "AUGUSTUS is a program that predicts genes in eukaryotic genomic sequences"

toolchain = {'name': 'intel', 'version': '2019b'}

# https://github.com/Gaius-Augustus/Augustus/archive
github_account = 'Gaius-Augustus'
source_urls = [GITHUB_SOURCE]
sources = ['v%(version)s.tar.gz']
patches = [
'%(name)s-%(version)s_fix-hardcoding.patch',
]
checksums = [
'2fc5f9fd2f0c3bba2924df42ffaf55b5c130228cea18efdb3b6dfab9efa8c9f4', # v3.3.3.tar.gz
'414907ab65cd27df33508f7d0c2fde4cc5e6ffd9fb7be9357d1488851e480e94', # AUGUSTUS-3.3.3_fix-hardcoding.patch
]

dependencies = [
('zlib', '1.2.11'),
('Boost', '1.71.0'),
('GSL', '2.6'),
('SAMtools', '1.10'),
('HTSlib', '1.10.2'), # also provides tabix
('BCFtools', '1.10.2'),
('lpsolve', '5.5.2.5'),
('SuiteSparse', '5.6.0', '-METIS-5.1.0'),
('BamTools', '2.5.1'),
('SQLite', '3.29.0'),
]

skipsteps = ['configure']

# run "make clean" to avoid using binaries included with the source tarball
prebuildopts = "make clean && "

buildopts = 'COMPGENEPRED=true SQLITE=true ZIPINPUT=true CXX="$CXX" LINK.cc="$CXX" '
installopts = 'INSTALLDIR=%(installdir)s '

sanity_check_paths = {
'files': ['bin/augustus', 'bin/bam2hints', 'bin/espoca', 'bin/etraining',
'bin/fastBlockSearch', 'bin/filterBam', 'bin/getSeq', 'bin/homGeneMapping', 'bin/joingenes',
'bin/load2sqlitedb', 'bin/prepareAlign'],
'dirs': ['config', 'scripts'],
}
sanity_check_commands = ['augustus --help']

modextrapaths = {'PATH': 'scripts'}
modextravars = {
'AUGUSTUS_BIN_PATH': '%(installdir)s/bin',
'AUGUSTUS_CONFIG_PATH': '%(installdir)s/config',
'AUGUSTUS_SCRIPTS_PATH': '%(installdir)s/scripts',
}

moduleclass = 'bio'
Original file line number Diff line number Diff line change
Expand Up @@ -109,3 +109,44 @@ diff Augustus-3.3.3/auxprogs/filterBam/src/Makefile{.orig,} -ru
INCLUDES = -I$(BAMTOOLS) -Iheaders -I./bamtools
LIBS = -lbamtools -lz
CFLAGS = -std=c++0x
--- Augustus-3.3.3/auxprogs/joingenes/Makefile.orig 2020-04-22 17:23:34.829927330 +0200
+++ Augustus-3.3.3/auxprogs/joingenes/Makefile 2020-04-22 17:24:14.881206231 +0200
@@ -1,4 +1,4 @@
-CC=g++
+CC=$(CXX)
CFLAGS=-Wall -std=gnu++0x

all: joingenes
--- Augustus-3.3.3/src/Makefile.orig 2020-04-22 22:28:10.074833000 +0200
+++ Augustus-3.3.3/src/Makefile 2020-04-22 22:28:26.352479069 +0200
@@ -24,7 +24,7 @@
ifdef COMPGENEPRED
CXXFLAGS += -std=c++11 -DCOMPGENEPRED
endif
-INCLS = -I../include
+INCLS = ${CPPFLAGS} -I../include

OBJS = genbank.o properties.o pp_profile.o pp_hitseq.o pp_scoring.o statemodel.o namgene.o \
types.o gene.o evaluation.o motif.o geneticcode.o hints.o extrinsicinfo.o projectio.o \
--- Augustus-3.3.3/auxprogs/utrrnaseq/Debug/makefile.orig 2020-04-22 23:04:30.186338000 +0200
+++ Augustus-3.3.3/auxprogs/utrrnaseq/Debug/makefile 2020-04-22 23:04:57.667110000 +0200
@@ -44,7 +44,7 @@
utrrnaseq: $(OBJS) $(USER_OBJS)
@echo 'Building target: $@'
@echo 'Invoking: GCC C++ Linker'
- g++ -o "utrrnaseq" $(OBJS) $(USER_OBJS) $(LIBS)
+ $(CXX) $(CXXFLAGS) -o "utrrnaseq" $(OBJS) $(USER_OBJS) $(LIBS)
@echo 'Finished building target: $@'
@echo ' '

--- Augustus-3.3.3/auxprogs/utrrnaseq/Debug/src/subdir.mk.orig 2020-04-22 23:13:01.747305000 +0200
+++ Augustus-3.3.3/auxprogs/utrrnaseq/Debug/src/subdir.mk 2020-04-22 23:13:07.139766000 +0200
@@ -38,7 +38,7 @@
src/%.o: ../src/%.cpp
@echo 'Building file: $<'
@echo 'Invoking: GCC C++ Compiler'
- g++ -I/usr/include/boost -O0 -g3 -pedantic -Wall -c -fmessage-length=0 -MMD -MP -MF"$(@:%.o=%.d)" -MT"$(@)" -o "$@" "$<"
+ $(CXX) $(CXXFLAGS) -I/usr/include/boost -O0 -g3 -pedantic -Wall -c -fmessage-length=0 -MMD -MP -MF"$(@:%.o=%.d)" -MT"$(@)" -o "$@" "$<"
@echo 'Finished building: $<'
@echo ' '

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