diff --git a/Golden_Repo/a/AMBER/AMBER-20-gpsmkl-2021b.eb b/Golden_Repo/a/AMBER/AMBER-20-gpsmkl-2021b.eb index b3d1e396dc2c15f6856d70fd4de96b875e115442..5b6c0231ba8be712a2d9d4469defdf0948897572 100644 --- a/Golden_Repo/a/AMBER/AMBER-20-gpsmkl-2021b.eb +++ b/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' diff --git a/Golden_Repo/hidden_deps.txt b/Golden_Repo/hidden_deps.txt index d2a74ca2167b2799a9302a76f7e116fe5999f0a7..8670accfb7101f786a79c2ef09c361291505796a 100644 --- a/Golden_Repo/hidden_deps.txt +++ b/Golden_Repo/hidden_deps.txt @@ -70,6 +70,7 @@ Libint LittleCMS M4 MATIO +MATLAB NASM NLopt OPARI2 diff --git a/Golden_Repo/m/MATLAB/MATLAB-2022a.eb b/Golden_Repo/m/MATLAB/MATLAB-2022a.eb new file mode 100644 index 0000000000000000000000000000000000000000..8e99f358a3e975374bc725376c349dcebfbb3ca5 --- /dev/null +++ b/Golden_Repo/m/MATLAB/MATLAB-2022a.eb @@ -0,0 +1,55 @@ +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' diff --git a/Golden_Repo/m/MATLAB/README.txt b/Golden_Repo/m/MATLAB/README.txt new file mode 100644 index 0000000000000000000000000000000000000000..b4f6e995a3e6a43542f01f4b33a964e8c8f7c7a2 --- /dev/null +++ b/Golden_Repo/m/MATLAB/README.txt @@ -0,0 +1,13 @@ +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 diff --git a/Golden_Repo/p/p7zip/p7zip-17.04-GCCcore-11.2.0.eb b/Golden_Repo/p/p7zip/p7zip-17.04-GCCcore-11.2.0.eb new file mode 100644 index 0000000000000000000000000000000000000000..ac2df0865b010d3550a21bf9e80f84d5622dff01 --- /dev/null +++ b/Golden_Repo/p/p7zip/p7zip-17.04-GCCcore-11.2.0.eb @@ -0,0 +1,47 @@ +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' diff --git a/Golden_Repo/r/ROOT/ROOT-6.26.04-gpsmpi-2021b.eb b/Golden_Repo/r/ROOT/ROOT-6.26.04-gpsmpi-2021b.eb new file mode 100644 index 0000000000000000000000000000000000000000..71cd6d10634dee1388ca0fe14b62a13b6e0d13fb --- /dev/null +++ b/Golden_Repo/r/ROOT/ROOT-6.26.04-gpsmpi-2021b.eb @@ -0,0 +1,57 @@ +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' diff --git a/acls.yml b/acls.yml index 650c427c7862150355ff0ff9c8b72a63d43d3b12..5bfbc9d91a96310bcfbac31e28a101165637705e 100644 --- a/acls.yml +++ b/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