Merge branch '2022' of...

Merge branch '2022' of https://gitlab.version.fz-juelich.de/hps-public/easybuild-repository into shpc

Golden_Repo/a/AMBER/AMBER-20-gpsmkl-2021b.eb

@@ -73,6 +73,7 @@ buildopts = 'NVCC_GENCODE="-gencode=arch=compute_70,code=sm_70 \
 modextravars = {
     'AMBERHOME': '%(installdir)s/',
 }
+modextrapaths = {'PYTHONPATH': ['lib/python%(pyshortver)s/site-packages']}
 
 modluafooter = '''
 add_property("arch","gpu")
@@ -81,10 +82,17 @@ add_property("arch","gpu")
 group = "amber"
 
 modloadmsg = '''
-The access to this software is restricted to members of the group "amber".
-The JSC has a site licence for academic users. If you would like to get
-access please see:
-"http://www.fz-juelich.de/ias/jsc/EN/Expertise/Support/Software/Chemistry/AmberConfirmationOfLicence.html"
+
+Info: (1) Check the loaded modules to see if loading the AMBER module
+succeeded. If it did, ignore the rest of this message. (2) If AMBER
+didn't load, one possible reason is that "amber" is not currently
+your primary group. You can temporarily change your primary group by
+typing "newgrp amber". (3) If that didn't work, you are probably
+not a member of the group "amber", you have to first add yourself
+to that group. Visit "https://judoor.fz-juelich.de/", follow the
+link "Request access to restricted software", enable "amber" for
+your account, wait 15-20 minutes and then try "newgrp amber" again.
+
 '''
 
 moduleclass = 'bio'

Golden_Repo/hidden_deps.txt

@@ -70,6 +70,7 @@ Libint
 LittleCMS
 M4
 MATIO
+MATLAB
 NASM
 NLopt
 OPARI2

Golden_Repo/m/MATLAB/MATLAB-2022a.eb

+name = 'MATLAB'
+version = '2022a'
+
+homepage = 'https://www.mathworks.com/products/matlab.html'
+description = """MATLAB is a high-level language and interactive environment
+that enables you to perform computationally intensive tasks faster than with
+traditional programming languages such as C, C++, and Fortran.
+"""
+
+toolchain = SYSTEM
+
+sources = [SOURCELOWER_TAR_GZ]
+checksums = ['77c3c5ca229f038cc3dab8edcf6059b3d3e0545e8854a1924739f6701f75ed4e']
+
+dependencies = [('Java', '15', '', SYSTEM)]
+
+java_options = '-Xmx2048m'
+
+# Attention: before calling 'eb':
+# export EB_MATLAB_KEY as fileInstallationKey
+# or export EB_MATLAB_LICFILE as license file
+
+postinstallcmds = [
+    # create a wrapper script to ensure we do not mess up the environment
+    # because MATLAB comes with its own libstdc++ and other system libs
+    # in $EBROOTMATLAB/sys/os/glnxa64/
+    'mv %(installdir)s/bin/matlab %(installdir)s/bin/matlab.bin ',
+    (
+        '{ cat > %(installdir)s/bin/matlab; } << EOF\n'
+        '#!/bin/bash\n'
+        '\n'
+        'MYPATH=\$(readlink -f \$0)\n'
+        'export MATLAB_PATH=\$(realpath \$(dirname "\$MYPATH")/..)\n'
+        '\n'
+        'export LD_LIBRARY_PATH=\$MATLAB_PATH/runtime/glnxa64:\$LD_LIBRARY_PATH\n'
+        'export LD_LIBRARY_PATH=\$MATLAB_PATH/bin/glnxa64:\$LD_LIBRARY_PATH\n'
+        'export LD_LIBRARY_PATH=\$MATLAB_PATH/sys/os/glnxa64:\$LD_LIBRARY_PATH\n'
+        '\n'
+        '"\$MATLAB_PATH/bin/matlab.bin" "\$@"\n'
+        'EOF'
+    ),
+    'chmod +x %(installdir)s/bin/matlab',
+]
+
+modloadmsg = """
+Attention: We do NOT supply MATLAB licenses but just the complete software installation.
+Without access to a valid license you are not able to run MATLAB and enable toolboxes.
+"""
+
+sanity_check_paths = {
+    'files': ['bin/matlab', 'bin/glnxa64/MATLAB'],
+    'dirs': [],
+}
+
+moduleclass = 'math'

Golden_Repo/m/MATLAB/README.txt

+Before running `eb` to install MATLAB you need to
+
+a) export the file installation key as EB_MATLAB_KEY, like the following example
+export EB_MATLAB_KEY='00000-00000-00000-00000-00000-00000-00000-00000-00000-00000-00000-00000-00000-00000-00000-00000-00000-00000-00000-00000-00000-00000'
+
+b) or export the absolute path to the license file as EB_MATLAB_LICFILE, like the following example
+export EB_MATLAB_LICFILE=/home/matlab/matlab.lic
+
+c) download the ISO installation file from MATHWORKS
+
+d) unpack it with `7z x <iso-file>` and repack it again with `tar -czf matlab-2022a.tar.gz`
+
+e) copy the packed matlab sources as 'matlab-2020b.tar.gz' to the working directory

Golden_Repo/p/p7zip/p7zip-17.04-GCCcore-11.2.0.eb

+easyblock = 'MakeCp'
+
+name = 'p7zip'
+version = '17.04'
+
+homepage = 'https://github.com/jinfeihan57/p7zip/'
+description = """p7zip is a quick port of 7z.exe and 7za.exe (CLI version of
+7zip) for Unix. 7-Zip is a file archiver with highest compression ratio."""
+
+toolchain = {'name': 'GCCcore', 'version': '11.2.0'}
+
+github_account = 'jinfeihan57'
+source_urls = [GITHUB_LOWER_SOURCE]
+sources = ['v%(version)s.tar.gz']
+checksums = ['ea029a2e21d2d6ad0a156f6679bd66836204aa78148a4c5e498fe682e77127ef']
+
+builddependencies = [
+    ('binutils', '2.37'),
+]
+
+prebuildopts = "cp makefile.linux_amd64 makefile.linux &&"
+buildopts = 'all3 CC="$CC" CXX="$CXX" OPTFLAGS="$CFLAGS"'
+
+files_to_copy = [
+    (['bin/7za', 'bin/7zr', 'bin/7zCon.sfx'], 'bin'),  # stand-alone binaries
+    (['bin/7z', 'bin/7z.%s' % SHLIB_EXT, 'bin/Codecs'], 'libexec'),  # 7z requires 7z.so plugin in same directory
+]
+
+# put script in place for 7z, since it *must* be called full path, to ensure that 7z.so is found in the same directory
+# see also http://sourceforge.net/p/p7zip/discussion/383044/thread/5e4085ab/
+postinstallcmds = [
+    "echo '#!/bin/sh\n%(installdir)s/libexec/7z $@' > %(installdir)s/bin/7z",
+    "chmod +x %(installdir)s/bin/7z",  # set execution bits according to current umask
+]
+
+sanity_check_paths = {
+    'files': ['bin/7z', 'bin/7za', 'bin/7zCon.sfx', 'bin/7zr', 'libexec/7z', 'libexec/7z.%s' % SHLIB_EXT],
+    'dirs': ['libexec/Codecs'],
+}
+
+sanity_check_commands = [
+    '7z --help',
+    '7z x || test $? -gt 0',
+    "! 7z i | grep -q \"Can't load\" ",
+]
+
+moduleclass = 'tools'

Golden_Repo/r/ROOT/ROOT-6.26.04-gpsmpi-2021b.eb

+name = 'ROOT'
+version = '6.26.04'
+
+homepage = 'https://root.cern.ch/drupal/'
+description = """The ROOT system provides a set of OO frameworks with all the functionality
+    needed to handle and analyze large amounts of data in a very efficient way."""
+
+toolchain = {'name': 'gpsmpi', 'version': '2021b'}
+toolchainopts = {'pic': True}
+
+source_urls = ['https://root.cern.ch/download/']
+sources = ['%(namelower)s_v%(version)s.source.tar.gz']
+checksums = ['a271cf82782d6ed2c87ea5eef6681803f2e69e17b3036df9d863636e9358421e']
+
+builddependencies = [
+    ('CMake', '3.21.1'),
+    ('pkg-config', '0.29.2'),
+]
+
+dependencies = [
+    ('GSL', '2.7'),
+    ('libxml2', '2.9.10'),
+    ('PCRE', '8.45'),
+    ('CFITSIO', '4.0.0'),
+    ('freetype', '2.11.0'),
+    ('Python', '3.9.6'),
+    ('SciPy-bundle', '2021.10', '', ('gcccoremkl', '11.2.0-2021.4.0')),
+    ('zlib', '1.2.11'),
+    ('X11', '20210802'),
+    ('OpenGL', '2021b'),
+    ('GL2PS', '1.4.2'),
+    ('FFTW', '3.3.10'),
+    ('SQLite', '3.36'),
+    ('XZ', '5.2.5'),
+    ('libpng', '1.6.37'),
+    ('tbb', '2020.3'),
+    ('Perl', '5.34.0'),
+    ('Go', '1.17.3', '', SYSTEM),
+    ('nlohmann-json', '3.10.4'),
+    ('LibTIFF', '4.3.0'),
+]
+
+# NOTE: Ensure that each configopts string begins with a blank
+# disable some components
+configopts = " -Dxrootd=OFF -Dmysql=OFF -Dkrb5=OFF -Dodbc=OFF -Doracle=OFF -Dpgsql=OFF -Dqt=OFF"
+
+# make sure some components are enabled
+configopts += " -Dpcre=ON -Dzlib=ON -Dpyroot=ON"
+configopts += " -Dunuran=ON -Dexplicitlink=ON -Dminuit2=ON -Droofit=ON "
+
+# Add component-specific settings based on dependencies
+configopts += ' -Dfftw3=ON -Dgsl=ON -DOpenGL_GL_PREFERENCE=GLVND'
+
+# Set C++ standard to C++17 for better stability
+configopts += ' -DCMAKE_CXX_STANDARD=17'
+
+moduleclass = 'data'

acls.yml

@@ -227,6 +227,9 @@ software:
   - name: 'lz4'
     owner: 'goebbert1'
     base: True
+  - name: 'MATLAB'
+    owner: 'goebbert1'
+    system: True
   - name: 'MCR'
     owner: 'goebbert1'
     system: True
@@ -269,6 +272,9 @@ software:
   - name: 'OSPRay'
     owner: 'goebbert1'
     mpi: True
+  - name: 'p7zip'
+    owner: 'goebbert1'
+    base: True
   - name: 'Pandoc'
     owner: 'goebbert1'
     system: True
@@ -337,10 +343,10 @@ software:
     base: True
   - name: 'SymEngine'
     owner: 'goebbert1'
-    base: True
+    compiler: True
   - name: 'SymEngine-python'
     owner: 'goebbert1'
-    base: True
+    compiler: True
   - name: 'SZ'
     owner: 'goebbert1'
     base: True
@@ -1121,3 +1127,6 @@ software:
   - name: 'HDFView'
     owner: 'luehrs2'
     base: True
+  - name: 'ROOT'
+    owner: 'breuer1'
+    mpi: True