diff --git a/a/Automake/Automake-1.16.4.eb b/a/Automake/Automake-1.16.4.eb new file mode 100644 index 00000000..9ced3f11 --- /dev/null +++ b/a/Automake/Automake-1.16.4.eb @@ -0,0 +1,27 @@ +# IT4Innovations +# LK 2022 + +easyblock = 'ConfigureMake' + +name = 'Automake' +version = "1.16.4" + +homepage = 'http://www.gnu.org/software/automake/automake.html' + +description = "Automake: GNU Standards-local_compliant Makefile generator" + +toolchain = SYSTEM + +source_urls = ['https://mirror.checkdomain.de/gnu/automake/'] +sources = [SOURCELOWER_TAR_GZ] + +dependencies = [ + ('Autoconf', '2.71'), +] + +sanity_check_paths = { + 'files': ['bin/automake', 'bin/aclocal'], + 'dirs': [] +} + +moduleclass = 'devel' diff --git a/b/BEEF/BEEF-0.1.1-intel-2020.eb b/b/BEEF/BEEF-0.1.1-intel-2020a.eb similarity index 100% rename from b/BEEF/BEEF-0.1.1-intel-2020.eb rename to b/BEEF/BEEF-0.1.1-intel-2020a.eb diff --git a/b/BEEF/BEEF-0.1.1-intel-2020b.eb b/b/BEEF/BEEF-0.1.1-intel-2020b.eb new file mode 100644 index 00000000..44362de6 --- /dev/null +++ b/b/BEEF/BEEF-0.1.1-intel-2020b.eb @@ -0,0 +1,28 @@ +# IT4Innovations 2020 +# LK + +easyblock = 'ConfigureMake' + +name = 'BEEF' +version = '0.1.1' + +homepage = 'http://suncat.stanford.edu/facility/software/functional' +description = """BEEF is a library-based implementation of the Bayesian +Error Estimation Functional, suitable for linking against by Fortran- +or C-based DFT codes. A description of BEEF can be found at +http://dx.doi.org/10.1103/PhysRevB.85.235149.""" + +toolchain = {'name': 'intel', 'version': '2020b'} +toolchainopts = {'openmp': False, 'usempi': False} + +source_urls = ['https://confluence.slac.stanford.edu/download/attachments/146704476'] +sources = ['libbeef-%(version)s.tar.gz'] + +configopts = 'CC="$CC"' + +sanity_check_paths = { + 'files': ['bin/bee', 'lib/libbeef.a'], + 'dirs': [], +} + +moduleclass = 'chem' diff --git a/b/Bison/Bison-3.0.4.eb b/b/Bison/Bison-3.0.4.eb deleted file mode 100644 index 85ec31c1..00000000 --- a/b/Bison/Bison-3.0.4.eb +++ /dev/null @@ -1,22 +0,0 @@ -easyblock = 'ConfigureMake' - -name = 'Bison' -version = '3.0.4' - -homepage = 'http://www.gnu.org/software/bison' -description = """Bison is a general-purpose parser generator that converts an annotated context-free grammar -into a deterministic LR or generalized LR (GLR) parser employing LALR(1) parser tables.""" - -toolchain = SYSTEM - -sources = [SOURCELOWER_TAR_GZ] -source_urls = [GNU_SOURCE] - -builddependencies = [('M4', '1.4.18')] - -sanity_check_paths = { - 'files': ["bin/%s" % x for x in ["bison", "yacc"]] + ["lib/liby.a"], - 'dirs': [], -} - -moduleclass = 'lang' diff --git a/b/BoltzTraP2/BoltzTraP2-20.7.1-intel-2020b-Python-3.8.6.eb b/b/BoltzTraP2/BoltzTraP2-20.7.1-intel-2020b-Python-3.8.6.eb new file mode 100644 index 00000000..3d185d4e --- /dev/null +++ b/b/BoltzTraP2/BoltzTraP2-20.7.1-intel-2020b-Python-3.8.6.eb @@ -0,0 +1,42 @@ +# IT4Innovations 2022 +# JK + +easyblock = "PythonBundle" +name = 'BoltzTraP2' +version = '20.7.1' +versionsuffix = '-Python-%(pyver)s' + +homepage = 'https://www.imc.tuwien.ac.at/index.php?id=21094' +description = """BoltzTraP2 is a modern implementation of the smoothed Fourier + interpolation algorithm for electronic bands that formed the base of the original + and widely used BoltzTraP code.""" + +toolchain = {'name': 'intel', 'version': '2020b'} + +dependencies = [ + ('Python', '3.8.6'), + ('SciPy-bundle', '2020.03', versionsuffix), + ('matplotlib', '3.3.3'), + ('spglib-python', '1.16.0'), + ('ASE', '3.21.1'), + ('netCDF', '4.7.4'), + ('FFTW', '3.3.8', '', True), + ('VTK', '9.1.0', versionsuffix), +] + +builddependencies = [ + ('CMake', '3.18.4') +] + +options = {'modulename': 'BoltzTraP2'} + +use_pip = True +exts_default_options = {'source_urls': [PYPI_SOURCE]} +exts_list = [ + ('pyFFTW', '0.13.0'), + ('BoltzTraP2', '20.7.1'), +] + +skipsteps = ['sanitycheck'] + +moduleclass = 'python' diff --git a/c/CUDAcore/CUDAcore-11.6.0.eb b/c/CUDAcore/CUDAcore-11.6.0.eb new file mode 100644 index 00000000..89f27b6c --- /dev/null +++ b/c/CUDAcore/CUDAcore-11.6.0.eb @@ -0,0 +1,21 @@ +# IT4Innovations +# LK 2021 + +easyblock = 'EB_CUDA' + +name = 'CUDAcore' +version = '11.6.0' +local_nv_version = '510.39.01' + +homepage = 'https://developer.nvidia.com/cuda-toolkit' +description = """CUDA (formerly Compute Unified Device Architecture) is a parallel + computing platform and programming model created by NVIDIA and implemented by the + graphics processing units (GPUs) that they produce. CUDA gives developers access + to the virtual instruction set and memory of the parallel computational elements in CUDA GPUs.""" + +toolchain = SYSTEM + +source_urls = ['https://developer.download.nvidia.com/compute/cuda/%(version)s/local_installers/'] +sources = ['cuda_%%(version)s_%s_linux%%(cudaarch)s.run' % local_nv_version] + +moduleclass = 'system' diff --git a/f/flex/flex-2.6.4.eb b/f/flex/flex-2.6.4.eb deleted file mode 100644 index e1cf5c6c..00000000 --- a/f/flex/flex-2.6.4.eb +++ /dev/null @@ -1,16 +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} - -sources = [SOURCELOWER_TAR_GZ] -source_urls = ['https://sources.voidlinux.eu/flex-2.6.4/'] - -dependencies = [('Bison', '3.0.4')] - -moduleclass = 'lang' diff --git a/g/GROMACS/GROMACS-2020.4-fosscuda-2020b-PLUMED-2.7.0-patch.eb b/g/GROMACS/GROMACS-2020.4-fosscuda-2020b-PLUMED-2.7.0-patch.eb index 39cdd379..f6c2e2d6 100644 --- a/g/GROMACS/GROMACS-2020.4-fosscuda-2020b-PLUMED-2.7.0-patch.eb +++ b/g/GROMACS/GROMACS-2020.4-fosscuda-2020b-PLUMED-2.7.0-patch.eb @@ -1,6 +1,8 @@ # IT4Innovations # LK 2021 +#nvcc fatal : Unsupported gpu architecture 'compute_1' + name = 'GROMACS' version = '2020.4' versionsuffix = '-PLUMED-2.7.0-patch' @@ -56,6 +58,8 @@ dependencies = [ exts_defaultclass = 'PythonPackage' +cuda_compute_capabilities = '11.6' + exts_default_options = { 'source_urls': [PYPI_SOURCE], 'use_pip': True, diff --git a/l/libnsl/libnsl-1.3.0-GCCcore-10.3.0.eb b/l/libnsl/libnsl-1.3.0-GCCcore-10.3.0.eb new file mode 100644 index 00000000..fcacc1c5 --- /dev/null +++ b/l/libnsl/libnsl-1.3.0-GCCcore-10.3.0.eb @@ -0,0 +1,33 @@ +easyblock = 'ConfigureMake' + +name = 'libnsl' +version = '1.3.0' + +homepage = 'https://github.com/thkukuk/libnsl' +description = """The libnsl package contains the public client interface for NIS(YP).""" + +toolchain = {'name': 'GCCcore', 'version': '10.3.0'} + +source_urls = ['https://github.com/thkukuk/%(name)s/releases/download/v%(version)s/'] +sources = [SOURCE_TAR_XZ] +checksums = ['eac3062957fa302c62eff4aed718a07bacbf9ceb0a058289f12a19bfdda3c8e2'] + +builddependencies = [ + ('binutils', '2.36.1'), +] + +dependencies = [ + ('libtirpc', '1.3.2'), +] + +# Provide a symlink for libnsl.so.1, which used to be part of glibc. +# This new version of libnsl should be backwards compatible. +postinstallcmds = ['ln -s libnsl.so %(installdir)s/lib/libnsl.so.1'] + +sanity_check_paths = { + 'files': ['include/rpcsvc/nis.h', 'include/rpcsvc/yp.h', 'lib/libnsl.a', + 'lib/libnsl.%s' % SHLIB_EXT, 'lib/libnsl.%s.1' % SHLIB_EXT], + 'dirs': ['include'] +} + +moduleclass = 'devel' diff --git a/m/M4/M4-1.4.17.eb b/m/M4/M4-1.4.17.eb deleted file mode 100644 index 13c48ebd..00000000 --- a/m/M4/M4-1.4.17.eb +++ /dev/null @@ -1,23 +0,0 @@ -easyblock = 'ConfigureMake' - -name = 'M4' -version = '1.4.17' - -homepage = 'http://www.gnu.org/software/m4/m4.html' -description = """GNU M4 is an implementation of the traditional Unix macro processor. It is mostly SVR4 local_compatible - although it has some extensions (for example, handling more than 9 positional parameters to macros). - GNU M4 also has built-in functions for including files, running shell commands, doing arithmetic, etc.""" - -toolchain = SYSTEM - -sources = [SOURCELOWER_TAR_GZ] -source_urls = [GNU_SOURCE] - -configopts = "--enable-cxx CPPFLAGS='-fgnu89-inline'" - -sanity_check_paths = { - 'files': ["bin/m4"], - 'dirs': [], -} - -moduleclass = 'devel' diff --git a/m/M4/M4-1.4.18.eb b/m/M4/M4-1.4.18.eb deleted file mode 100644 index 8622b81a..00000000 --- a/m/M4/M4-1.4.18.eb +++ /dev/null @@ -1,25 +0,0 @@ -easyblock = 'ConfigureMake' - -name = 'M4' -version = '1.4.18' - -homepage = 'http://www.gnu.org/software/m4/m4.html' -description = """GNU M4 is an implementation of the traditional Unix macro processor. It is mostly SVR4 local_compatible - although it has some extensions (for example, handling more than 9 positional parameters to macros). - GNU M4 also has built-in functions for including files, running shell commands, doing arithmetic, etc.""" - -toolchain = SYSTEM - -sources = [SOURCELOWER_TAR_GZ] -source_urls = [GNU_SOURCE] - -# '-fgnu89-inline' is required to avoid linking errors with older glibc's, -# see https://github.com/hpcugent/easybuild-easyconfigs/issues/529 -configopts = "--enable-cxx CPPFLAGS=-fgnu89-inline" - -sanity_check_paths = { - 'files': ["bin/m4"], - 'dirs': [], -} - -moduleclass = 'devel' diff --git a/n/NVHPC/NVHPC-22.2.eb b/n/NVHPC/NVHPC-22.2.eb new file mode 100644 index 00000000..76d87b78 --- /dev/null +++ b/n/NVHPC/NVHPC-22.2.eb @@ -0,0 +1,65 @@ +# IT4Innovations +# LK 2022 + +name = 'NVHPC' +version = '22.2' + +homepage = 'https://developer.nvidia.com/hpc-sdk/' +description = """C, C++ and Fortran compilers included with the NVIDIA HPC SDK (previously: PGI)""" + +toolchain = SYSTEM + +# By downloading, you accept the HPC SDK Software License Agreement (https://docs.nvidia.com/hpc-sdk/eula/index.html) +accept_eula = True +source_urls = ['https://developer.download.nvidia.com/hpc-sdk/%(version)s/'] +local_tarball_tmpl = 'nvhpc_2022_%%(version_major)s%%(version_minor)s_Linux_%s_cuda_multi.tar.gz' +sources = [local_tarball_tmpl % '%(arch)s'] + +local_gccver = '10.2.0' +dependencies = [ + ('GCCcore', local_gccver), + ('binutils', '2.35', '', ('GCCcore', local_gccver)), + # This is necessary to avoid cases where just libnuma.so.1 is present in the system and -lnuma fails + ('numactl', '2.0.13', '', ('GCCcore', local_gccver)) +] + +# specify default CUDA version that should be used by NVHPC +# should match one of the CUDA versions that are included with this NVHPC version +# (see install_components/Linux_x86_64/20.7/cuda/) +# for NVHPC 20.7, those are: 11.0, 10.2, 10.1; +# this version can be tweaked from the EasyBuild command line with +# --try-amend=default_cuda_version="10.2" (for example) +default_cuda_version = '11.6' + +# NVHPC EasyBlock supports some features, which can be set via CLI or this easyconfig. +# The following list gives examples for the easyconfig +# +# NVHPC needs CUDA to work. Two options are available: 1) Use NVHPC-bundled CUDA, 2) use system CUDA +# 1) Bundled CUDA +# If no easybuild dependency to CUDA is present, the bundled CUDA is taken. A version needs to be specified with +# default_cuda_version = "11.0" +# in this easyconfig file; alternatively, it can be specified through the command line during installation with +# --try-amend=default_cuda_version="10.2" +# 2) CUDA provided via EasyBuild +# Use CUDAcore as a dependency, for example +# dependencies = [('CUDAcore', '11.0.2')] +# The parameter default_cuda_version still can be set as above. +# If not set, it will be deduced from the CUDA module (via $EBVERSIONCUDA) +# +# Define a NVHPC-default Compute Capability +# cuda_compute_capabilities = "8.0" +cuda_compute_capabilities = '7.0' #V100 GPU +# Can also be specified on the EasyBuild command line via --cuda-compute-capabilities=8.0 +# Only single values supported, not lists of values! +# +# Options to add/remove things to/from environment module (defaults shown) +# module_byo_compilers = Yes # Remove compilers from PATH (Bring-your-own compilers) +# module_nvhpc_own_mpi = False # Add NVHPC's own pre-compiled OpenMPI +# module_add_math_libs = Yes # Add NVHPC's math libraries (which should be there from CUDA anyway) +# module_add_profilers = Yes # Add NVHPC's NVIDIA Profilers +# module_add_nccl = Yes # Add NVHPC's NCCL library +# module_add_nvshmem = Yes # Add NVHPC's NVSHMEM library +# module_add_cuda = Yes # Add NVHPC's bundled CUDA + +# this bundle serves as a compiler-only toolchain, so it should be marked as compiler (important for HMNS) +moduleclass = 'compiler' diff --git a/o/Octave/Octave-6.4.0-intel-2020b-without-X11.eb b/o/Octave/Octave-6.4.0-intel-2020b-without-X11.eb new file mode 100644 index 00000000..364db05d --- /dev/null +++ b/o/Octave/Octave-6.4.0-intel-2020b-without-X11.eb @@ -0,0 +1,40 @@ +# IT4Innovations +# LK 2022 + +easyblock = 'ConfigureMake' + +name = 'Octave' +version = '6.4.0' +versionsuffix = '-without-X11' + +homepage = 'http://www.gnu.org/software/octave/' +description = """GNU Octave is a high-level interpreted language, primarily intended for numerical local_computations.""" + +toolchain = {'name': 'intel', 'version': '2020b'} + +source_urls = [GNU_SOURCE] +sources = [SOURCELOWER_TAR_GZ] + +dependencies = [ + ('PCRE', '8.40', '', True), + ('ncurses', '6.2', '', True), +# ('libreadline', '7.0', '', True), +# ('cURL', '7.65.3', '', True), +# ('zlib', '1.2.11', '', True), + ('HDF5', '1.10.6', '-parallel'), +# ('FFTW', '3.3.8', '', True), + ('gnuplot', '5.2.8', '', True), +] + +configopts = '--disable-docs --without-opengl --without-qhull ' +#configopts += '--with-blas="$LIBBLAS" --with-lapack="$LIBLAPACK" ' +configopts += '--enable-fortran-calling-convention=gfortran --disable-readline ' + +sanity_check_paths = { + 'files': ['bin/octave'], + 'dirs': [] +} + +sanity_check_commands = [('octave', '--eval "1+2"')] + +moduleclass = 'math' diff --git a/o/OpenMPI/OpenMPI-4.0.6-NVHPC-22.2-CUDA-11.6.0.eb b/o/OpenMPI/OpenMPI-4.0.6-NVHPC-22.2-CUDA-11.6.0.eb new file mode 100644 index 00000000..e0e533b2 --- /dev/null +++ b/o/OpenMPI/OpenMPI-4.0.6-NVHPC-22.2-CUDA-11.6.0.eb @@ -0,0 +1,43 @@ +# IT4Innovations +# LK 2022 + +name = 'OpenMPI' +version = '4.0.6' +versionsuffix = '-CUDA-11.6.0' + +homepage = 'https://www.open-mpi.org/' +description = """The Open MPI Project is an open source MPI-3 implementation.""" + +toolchain = {'name': 'NVHPC', 'version': '22.2'} + +source_urls = ['https://www.open-mpi.org/software/ompi/v%(version_major_minor)s/downloads'] +sources = [SOURCELOWER_TAR_GZ] + +dependencies = [ + ('UCX', '1.11.2', '-GCC-10.2.0-CUDA-11.6.0', True), + ('CUDAcore', '11.6.0', '', True), +] + +preconfigopts = 'export CC="pgcc -noswitcherror" && export CXX="pgc++ -noswitcherror" && export FC="pgfortran -noswitcherror" && ' + +configopts = '--enable-shared --enable-mpi-thread-multiple --with-verbs ' +configopts += '--with-hwloc=$EBROOTHWLOC ' # hwloc support +configopts += '--enable-mpirun-prefix-by-default ' +configopts += '--with-tm=/opt/pbs ' # Enable PBS +configopts += '--enable-mpi-cxx ' # Enable building the C++ MPI bindings +configopts += '--with-ucx=$EBROOTUCX ' +configopts += '--with-cuda=$EBROOTCUDACORE ' + +moduleclass = 'mpi' + +#setenv("OMPI_MCA_btl_openib_if_include", "mlx5_0") +#setenv("export OMPI_MCA_btl_openib_allow_ib", "1") +#setenv("OMPI_MCA_pml", "^ucx") +#setenv("OMPI_MCA_orte_base_help_aggregate", "0") +import os +if os.environ.get("CLUSTERNAME") in ["BARBORA"]: + modextravars = {'OMPI_MCA_btl_openib_if_include': 'mlx5_0', + 'OMPI_MCA_btl_openib_allow_ib': '1', + 'OMPI_MCA_orte_base_help_aggregate': '0', + 'OMPI_MCA_pml': '^ucx', + } diff --git a/o/OpenMPI/OpenMPI-4.1.2-NVHPC-22.2-CUDA-11.6.0-v2.eb b/o/OpenMPI/OpenMPI-4.1.2-NVHPC-22.2-CUDA-11.6.0-v2.eb new file mode 100644 index 00000000..f910e554 --- /dev/null +++ b/o/OpenMPI/OpenMPI-4.1.2-NVHPC-22.2-CUDA-11.6.0-v2.eb @@ -0,0 +1,43 @@ +# IT4Innovations +# LK 2022 + +name = 'OpenMPI' +version = '4.1.2' +versionsuffix = '-CUDA-11.6.0-v2' + +homepage = 'https://www.open-mpi.org/' +description = """The Open MPI Project is an open source MPI-3 implementation.""" + +toolchain = {'name': 'NVHPC', 'version': '22.2'} + +source_urls = ['https://www.open-mpi.org/software/ompi/v%(version_major_minor)s/downloads'] +sources = [SOURCELOWER_TAR_GZ] + +dependencies = [ + ('UCX', '1.11.2', '-NVHPC-22.2-CUDA-11.6.0', True), + ('CUDAcore', '11.6.0', '', True), +] + +preconfigopts = 'export CC="pgcc -noswitcherror" && export CXX="pgc++ -noswitcherror" && export FC="pgfortran -noswitcherror" && ' + +configopts = '--enable-shared --enable-mpi-thread-multiple --with-verbs ' +configopts += '--with-hwloc=$EBROOTHWLOC ' # hwloc support +configopts += '--enable-mpirun-prefix-by-default ' +configopts += '--with-tm=/opt/pbs ' # Enable PBS +configopts += '--enable-mpi-cxx ' # Enable building the C++ MPI bindings +configopts += '--with-ucx=$EBROOTUCX ' +configopts += '--with-cuda=$EBROOTCUDACORE ' + +moduleclass = 'mpi' + +#setenv("OMPI_MCA_btl_openib_if_include", "mlx5_0") +#setenv("export OMPI_MCA_btl_openib_allow_ib", "1") +#setenv("OMPI_MCA_pml", "^ucx") +#setenv("OMPI_MCA_orte_base_help_aggregate", "0") +import os +if os.environ.get("CLUSTERNAME") in ["BARBORA"]: + modextravars = {'OMPI_MCA_btl_openib_if_include': 'mlx5_0', + 'OMPI_MCA_btl_openib_allow_ib': '1', + 'OMPI_MCA_orte_base_help_aggregate': '0', + 'OMPI_MCA_pml': '^ucx', + } diff --git a/o/OpenMPI/OpenMPI-4.1.2-NVHPC-22.2-CUDA-11.6.0.eb b/o/OpenMPI/OpenMPI-4.1.2-NVHPC-22.2-CUDA-11.6.0.eb new file mode 100644 index 00000000..a4ffb274 --- /dev/null +++ b/o/OpenMPI/OpenMPI-4.1.2-NVHPC-22.2-CUDA-11.6.0.eb @@ -0,0 +1,43 @@ +# IT4Innovations +# LK 2022 + +name = 'OpenMPI' +version = '4.1.2' +versionsuffix = '-CUDA-11.6.0' + +homepage = 'https://www.open-mpi.org/' +description = """The Open MPI Project is an open source MPI-3 implementation.""" + +toolchain = {'name': 'NVHPC', 'version': '22.2'} + +source_urls = ['https://www.open-mpi.org/software/ompi/v%(version_major_minor)s/downloads'] +sources = [SOURCELOWER_TAR_GZ] + +dependencies = [ + ('UCX', '1.11.2', '-GCC-10.2.0-CUDA-11.6.0', True), + ('CUDAcore', '11.6.0', '', True), +] + +preconfigopts = 'export CC="pgcc -noswitcherror" && export CXX="pgc++ -noswitcherror" && export FC="pgfortran -noswitcherror" && ' + +configopts = '--enable-shared --enable-mpi-thread-multiple --with-verbs ' +configopts += '--with-hwloc=$EBROOTHWLOC ' # hwloc support +configopts += '--enable-mpirun-prefix-by-default ' +configopts += '--with-tm=/opt/pbs ' # Enable PBS +configopts += '--enable-mpi-cxx ' # Enable building the C++ MPI bindings +configopts += '--with-ucx=$EBROOTUCX ' +configopts += '--with-cuda=$EBROOTCUDACORE ' + +moduleclass = 'mpi' + +#setenv("OMPI_MCA_btl_openib_if_include", "mlx5_0") +#setenv("export OMPI_MCA_btl_openib_allow_ib", "1") +#setenv("OMPI_MCA_pml", "^ucx") +#setenv("OMPI_MCA_orte_base_help_aggregate", "0") +import os +if os.environ.get("CLUSTERNAME") in ["BARBORA"]: + modextravars = {'OMPI_MCA_btl_openib_if_include': 'mlx5_0', + 'OMPI_MCA_btl_openib_allow_ib': '1', + 'OMPI_MCA_orte_base_help_aggregate': '0', + 'OMPI_MCA_pml': '^ucx', + } diff --git a/o/OpenSSL/OpenSSL-1.1.eb b/o/OpenSSL/OpenSSL-1.1.eb new file mode 100644 index 00000000..0b340c4c --- /dev/null +++ b/o/OpenSSL/OpenSSL-1.1.eb @@ -0,0 +1,44 @@ +# IT4Innovations +# LK 2022 + +easyblock = 'EB_OpenSSL_wrapper' + +name = 'OpenSSL' +version = '1.1' +minimum_openssl_version = '1.1.1' + +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 = SYSTEM +toolchainopts = {'pic': True} + +osdependencies = ['perl'] + +wrap_system_openssl = False + +builddependencies = [('pkg-config', '0.29.2')] + +# This easyconfig will wrap the OpenSSL installation in the host system. +# If the system provides the required binary, header files, and libraries for +# this version of OpenSSL, the installation directory of this module will be +# populated with symlinks to the system files. The minimum required version of +# OpenSSL can be finely controled with 'minimum_openssl_version' (defaults to +# easyconfig version). +# If the host system does not have this version of OpenSSL (or with the option +# wrap_system_openssl = False), EasyBuild will fall back to the following +# component list, which will be build and installed as usual. + +components = [ + (name, '1.1.1k', { + 'easyblock': 'EB_OpenSSL', + 'source_urls': ['https://www.openssl.org/source/'], + 'sources': [SOURCELOWER_TAR_GZ], + 'checksums': ['892a0875b9872acd04a9fde79b1f943075d5ea162415de3047c327df33fbaee5'], + 'start_dir': '%(namelower)s-%(version)s', + }), +] + +moduleclass = 'system' diff --git a/p/Python/Python-3.9.6-GCCcore-11.2.0-NetKet.eb b/p/Python/Python-3.9.6-GCCcore-11.2.0-NetKet.eb new file mode 100644 index 00000000..15cbf8e6 --- /dev/null +++ b/p/Python/Python-3.9.6-GCCcore-11.2.0-NetKet.eb @@ -0,0 +1,470 @@ +# IT4Innovations +# LK 2022 + +name = 'Python' +version = '3.9.6' +versionsuffix = '-NetKet' + +homepage = 'https://python.org/' +description = """Python is a programming language that lets you work more quickly and integrate your systems + more effectively.""" + +toolchain = {'name': 'GCCcore', 'version': '11.2.0'} +toolchainopts = {'pic': True} + +source_urls = ['https://www.python.org/ftp/%(namelower)s/%(version)s/'] +sources = [SOURCE_TGZ] +checksums = ['d0a35182e19e416fc8eae25a3dcd4d02d4997333e4ad1f2eee6010aadc3fe866'] + +builddependencies = [ + ('UnZip', '6.0'), + ('Rust', '1.54.0'), # required for setuptools-rust, which is needed for cryptography + ('pkg-config', '0.29.2'), + ('git', '2.33.1', '-nodocs'), # required for pbr +] + +dependencies = [ + ('binutils', '2.37'), + ('bzip2', '1.0.8'), # required for bz2 package in Python stdlib + ('zlib', '1.2.11'), + ('libreadline', '8.1'), + ('ncurses', '6.2'), + ('SQLite', '3.36'), + ('XZ', '5.2.5'), + ('GMP', '6.2.1'), # required for pycrypto + ('libffi', '3.4.2'), + ('OpenSSL', '1.1', '', True), + ('CUDAcore', '11.6.0', '', True), +] + +install_pip = True + +exts_default_options = { + 'download_dep_fail': True, + 'sanity_pip_check': True, + 'source_urls': [PYPI_SOURCE], + 'use_pip': True, +} + +# order is important! +# package versions updated 06 August 2021 +exts_list = [ + ('wheel', '0.36.2', { + 'checksums': ['e11eefd162658ea59a60a0f6c7d493a7190ea4b9a85e335b33489d9f17e0245e'], + }), + ('setuptools', '57.4.0', { + 'checksums': ['6bac238ffdf24e8806c61440e755192470352850f3419a52f26ffe0a1a64f465'], + }), + ('pip', '21.2.2', { + 'checksums': ['38e9250dfb0d7fa842492bede9259d4b3289a936ce454f7c58f059f28a94c01d'], + }), + ('nose', '1.3.7', { + 'checksums': ['f1bffef9cbc82628f6e7d7b40d7e255aefaa1adb6a1b1d26c69a8b79e6208a98'], + }), + ('blist', '1.3.6', { + 'patches': ['Python-3_9-blist-1.3.6-fix-undefined_symbol_PyObject_GC_IS_TRACKED.patch'], + 'checksums': [ + '3a12c450b001bdf895b30ae818d4d6d3f1552096b8c995f0fe0c74bef04d1fc3', # blist-1.3.6.tar.gz + # Python-3_9-blist-1.3.6-fix-undefined_symbol_PyObject_GC_IS_TRACKED.patch + '18a643d1d1565b05df7dcc9a612a86dcf7b3b352435032f6425a61b597f911d0', + ], + }), + ('paycheck', '1.0.2', { + 'checksums': ['6db7fc367c146cd59d2327ad4d2d6b0a24bc1be2d6953bb0773cbf702ee1ed34'], + }), + ('pbr', '5.6.0', { + 'checksums': ['42df03e7797b796625b1029c0400279c7c34fd7df24a7d7818a1abb5b38710dd'], + }), + ('Cython', '0.29.24', { + 'checksums': ['cdf04d07c3600860e8c2ebaad4e8f52ac3feb212453c1764a49ac08c827e8443'], + }), + ('six', '1.16.0', { + 'checksums': ['1e61c37477a1626458e36f7b1d82aa5c9b094fa4802892072e49de9c60c4c926'], + }), + ('toml', '0.10.2', { + 'checksums': ['b3bda1d108d5dd99f4a20d24d9c348e91c4db7ab1b749200bded2f839ccbe68f'], + }), + ('setuptools_scm', '6.0.1', { + 'checksums': ['d1925a69cb07e9b29416a275b9fadb009a23c148ace905b2fb220649a6c18e92'], + }), + ('python-dateutil', '2.8.2', { + 'modulename': 'dateutil', + 'checksums': ['0123cacc1627ae19ddf3c27a5de5bd67ee4586fbdd6440d9748f8abb483d3e86'], + }), + ('decorator', '5.0.9', { + 'checksums': ['72ecfba4320a893c53f9706bebb2d55c270c1e51a28789361aa93e4a21319ed5'], + }), + ('liac-arff', '2.5.0', { + 'modulename': 'arff', + 'checksums': ['3220d0af6487c5aa71b47579be7ad1d94f3849ff1e224af3bf05ad49a0b5c4da'], + }), + ('pycrypto', '2.6.1', { + 'modulename': 'Crypto', + 'patches': ['pycrypto-2.6.1_remove-usr-include.patch'], + 'checksums': [ + 'f2ce1e989b272cfcb677616763e0a2e7ec659effa67a88aa92b3a65528f60a3c', # pycrypto-2.6.1.tar.gz + # pycrypto-2.6.1_remove-usr-include.patch + '06c3d3bb290305e1360a023ea03f9281116c230de62382e6be9474996086712e', + ], + }), + ('ecdsa', '0.17.0', { + 'checksums': ['b9f500bb439e4153d0330610f5d26baaf18d17b8ced1bc54410d189385ea68aa'], + }), + ('ipaddress', '1.0.23', { + 'checksums': ['b7f8e0369580bb4a24d5ba1d7cc29660a4a6987763faf1d8a8046830e020e7e2'], + }), + ('asn1crypto', '1.4.0', { + 'checksums': ['f4f6e119474e58e04a2b1af817eb585b4fd72bdd89b998624712b5c99be7641c'], + }), + ('idna', '3.2', { + 'checksums': ['467fbad99067910785144ce333826c71fb0e63a425657295239737f7ecd125f3'], + }), + ('pycparser', '2.20', { + 'checksums': ['2d475327684562c3a96cc71adf7dc8c4f0565175cf86b6d7a404ff4c771f15f0'], + }), + ('cffi', '1.14.6', { + 'checksums': ['c9a875ce9d7fe32887784274dd533c57909b7b1dcadcc128a2ac21331a9765dd'], + }), + ('semantic_version', '2.8.5', { + 'checksums': ['d2cb2de0558762934679b9a104e82eca7af448c9f4974d1f3eeccff651df8a54'], + }), + ('setuptools-rust', '0.12.1', { + 'checksums': ['647009e924f0ae439c7f3e0141a184a69ad247ecb9044c511dabde232d3d570e'], + }), + ('cryptography', '3.4.7', { + 'checksums': ['3d10de8116d25649631977cb37da6cbdd2d6fa0e0281d014a5b7d337255ca713'], + # avoid that cargo uses $HOME/.cargo, which can lead to build failures if home directory is NFS mounted, + # see https://github.com/rust-lang/cargo/issues/6652 + 'preinstallopts': "export CARGO_HOME=%(builddir)s/cargo && ", + }), + ('pyasn1', '0.4.8', { + 'checksums': ['aef77c9fb94a3ac588e87841208bdec464471d9871bd5050a287cc9a475cd0ba'], + }), + ('PyNaCl', '1.4.0', { + 'modulename': 'nacl', + 'checksums': ['54e9a2c849c742006516ad56a88f5c74bf2ce92c9f67435187c3c5953b346505'], + }), + ('bcrypt', '3.2.0', { + 'checksums': ['5b93c1726e50a93a033c36e5ca7fdcd29a5c7395af50a6892f5d9e7c6cfbfb29'], + }), + ('paramiko', '2.7.2', { + 'checksums': ['7f36f4ba2c0d81d219f4595e35f70d56cc94f9ac40a6acdf51d6ca210ce65035'], + }), + ('pyparsing', '2.4.7', { + 'checksums': ['c203ec8783bf771a155b207279b9bccb8dea02d8f0c9e5f8ead507bc3246ecc1'], + }), + ('netifaces', '0.11.0', { + 'checksums': ['043a79146eb2907edf439899f262b3dfe41717d34124298ed281139a8b93ca32'], + }), + ('netaddr', '0.8.0', { + 'checksums': ['d6cc57c7a07b1d9d2e917aa8b36ae8ce61c35ba3fcd1b83ca31c5a0ee2b5a243'], + }), + ('mock', '4.0.3', { + 'checksums': ['7d3fbbde18228f4ff2f1f119a45cdffa458b4c0dee32eb4d2bb2f82554bac7bc'], + }), + ('pytz', '2021.1', { + 'checksums': ['83a4a90894bf38e243cf052c8b58f381bfe9a7a483f6a9cab140bc7f702ac4da'], + }), + ('bitstring', '3.1.9', { + 'checksums': ['a5848a3f63111785224dca8bb4c0a75b62ecdef56a042c8d6be74b16f7e860e7'], + }), + ('appdirs', '1.4.4', { + 'checksums': ['7d5d0167b2b1ba821647616af46a749d1c653740dd0d2415100fe26e27afdf41'], + }), + ('distlib', '0.3.2', { + 'source_tmpl': 'distlib-%(version)s.zip', + 'checksums': ['106fef6dc37dd8c0e2c0a60d3fca3e77460a48907f335fa28420463a6f799736'], + }), + ('filelock', '3.0.12', { + 'checksums': ['18d82244ee114f543149c66a6e0c14e9c4f8a1044b5cdaadd0f82159d6a6ff59'], + }), + ('zipp', '3.5.0', { + 'checksums': ['f5812b1e007e48cff63449a5e9f4e7ebea716b4111f9c4f9a645f91d579bf0c4'], + }), + ('typing_extensions', '3.10.0.0', { + 'checksums': ['50b6f157849174217d0656f99dc82fe932884fb250826c18350e159ec6cdf342'], + }), + ('importlib_metadata', '4.6.3', { + 'checksums': ['0645585859e9a6689c523927a5032f2ba5919f1f7d0e84bd4533312320de1ff9'], + }), + ('backports.entry_points_selectable', '1.1.0', { + 'checksums': ['988468260ec1c196dab6ae1149260e2f5472c9110334e5d51adcb77867361f6a'], + }), + ('platformdirs', '2.2.0', { + 'checksums': ['632daad3ab546bd8e6af0537d09805cec458dce201bccfe23012df73332e181e'], + }), + ('scandir', '1.10.0', { + 'checksums': ['4d4631f6062e658e9007ab3149a9b914f3548cb38bfb021c64f39a025ce578ae'], + }), + ('pathlib2', '2.3.6', { + 'checksums': ['7d8bcb5555003cdf4a8d2872c538faa3a0f5d20630cb360e518ca3b981795e5f'], + }), + ('importlib_resources', '5.2.2', { + 'checksums': ['a65882a4d0fe5fbf702273456ba2ce74fe44892c25e42e057aca526b702a6d4b'], + }), + ('virtualenv', '20.7.0', { + 'checksums': ['97066a978431ec096d163e72771df5357c5c898ffdd587048f45e0aecc228094'], + }), + ('docopt', '0.6.2', { + 'checksums': ['49b3a825280bd66b3aa83585ef59c4a8c82f2c8a522dbe754a8bc8d08c85c491'], + }), + ('joblib', '1.0.1', { + 'checksums': ['9c17567692206d2f3fb9ecf5e991084254fe631665c450b443761c4186a613f7'], + }), + ('chardet', '4.0.0', { + 'checksums': ['0d6f53a15db4120f2b08c94f11e7d93d2c911ee118b6b30a04ec3ee8310179fa'], + }), + ('certifi', '2021.5.30', { + 'checksums': ['2bbf76fd432960138b3ef6dda3dde0544f27cbf8546c458e60baf371917ba9ee'], + }), + ('urllib3', '1.26.6', { + 'checksums': ['f57b4c16c62fa2760b7e3d97c35b255512fb6b59a259730f36ba32ce9f8e342f'], + }), + ('charset-normalizer', '2.0.4', { + 'checksums': ['f23667ebe1084be45f6ae0538e4a5a865206544097e4e8bbcacf42cd02a348f3'], + }), + ('requests', '2.26.0', { + 'checksums': ['b8aa58f8cf793ffd8782d3d8cb19e66ef36f7aba4353eec859e74678b01b07a7'], + }), + ('xlrd', '2.0.1', { + 'checksums': ['f72f148f54442c6b056bf931dbc34f986fd0c3b0b6b5a58d013c9aef274d0c88'], + }), + ('py_expression_eval', '0.3.13', { + 'checksums': ['6e7d59d391d54a034609ce66b820e7dd68c757672d166dcc514bf7abf15ba57e'], + }), + ('tabulate', '0.8.9', { + 'checksums': ['eb1d13f25760052e8931f2ef80aaf6045a6cceb47514db8beab24cded16f13a7'], + }), + ('ujson', '4.0.2', { + 'checksums': ['c615a9e9e378a7383b756b7e7a73c38b22aeb8967a8bfbffd4741f7ffd043c4d'], + }), + ('atomicwrites', '1.4.0', { + 'checksums': ['ae70396ad1a434f9c7046fd2dd196fc04b12f9e91ffb859164193be8b6168a7a'], + }), + ('py', '1.10.0', { + 'checksums': ['21b81bda15b66ef5e1a777a21c4dcd9c20ad3efd0b3f817e7a809035269e1bd3'], + }), + ('pluggy', '0.13.1', { + 'checksums': ['15b2acde666561e1298d71b523007ed7364de07029219b604cf808bfa1c765b0'], + }), + ('more-itertools', '8.8.0', { + 'checksums': ['83f0308e05477c68f56ea3a888172c78ed5d5b3c282addb67508e7ba6c8f813a'], + }), + ('attrs', '21.2.0', { + 'modulename': 'attr', + 'checksums': ['ef6aaac3ca6cd92904cdd0d83f629a15f18053ec84e6432106f7a4d04ae4f5fb'], + }), + ('backports.functools_lru_cache', '1.6.4', { + 'checksums': ['d5ed2169378b67d3c545e5600d363a923b09c456dab1593914935a68ad478271'], + }), + ('wcwidth', '0.2.5', { + 'checksums': ['c4d647b99872929fdb7bdcaa4fbe7f01413ed3d98077df798530e5b04f116c83'], + }), + ('iniconfig', '1.1.1', { + 'checksums': 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['8c04c11192119b1ef78ea049e0a6f0463e4c48ef00a30160c704337586f3ad7a'], + }), + ('psutil', '5.8.0', { + 'checksums': ['0c9ccb99ab76025f2f0bbecf341d4656e9c1351db8cc8a03ccd62e318ab4b5c6'], + }), + ('future', '0.18.2', { + 'checksums': ['b1bead90b70cf6ec3f0710ae53a525360fa360d306a86583adc6bf83a4db537d'], + }), + ('sortedcontainers', '2.4.0', { + 'checksums': ['25caa5a06cc30b6b83d11423433f65d1f9d76c4c6a0c90e3379eaa43b9bfdb88'], + }), + ('intervaltree', '3.1.0', { + 'checksums': ['902b1b88936918f9b2a19e0e5eb7ccb430ae45cde4f39ea4b36932920d33952d'], + }), + ('pytoml', '0.1.21', { + 'checksums': ['8eecf7c8d0adcff3b375b09fe403407aa9b645c499e5ab8cac670ac4a35f61e7'], + }), + ('flit-core', '3.3.0', { + 'source_tmpl': 'flit_core-%(version)s.tar.gz', + 'checksums': ['b1404accffd6504b5f24eeca9ec5d3c877f828d16825348ba81515fa084bd5f0'], + }), + ('zipfile36', '0.1.3', { + 'checksums': ['a78a8dddf4fa114f7fe73df76ffcce7538e23433b7a6a96c1c904023f122aead'], + }), + ('flit', '3.3.0', { + 'checksums': ['65fbe22aaa7f880b776b20814bd80b0afbf91d1f95b17235b608aa256325ce57'], + }), + ('regex', '2021.8.3', { + 'checksums': ['8935937dad2c9b369c3d932b0edbc52a62647c2afb2fafc0c280f14a8bf56a6a'], + }), + ('intreehooks', '1.0', { + 'checksums': ['87e600d3b16b97ed219c078681260639e77ef5a17c0e0dbdd5a302f99b4e34e1'], + }), + ('pylev', '1.4.0', { + 'checksums': ['9e77e941042ad3a4cc305dcdf2b2dec1aec2fbe3dd9015d2698ad02b173006d1'], + }), + ('pastel', '0.2.1', { + 'source_tmpl': '%(name)s-%(version)s-py2.py3-none-any.whl', + 'checksums': ['4349225fcdf6c2bb34d483e523475de5bb04a5c10ef711263452cb37d7dd4364'], + }), + ('crashtest', '0.3.1', { + 'source_tmpl': SOURCE_PY3_WHL, + 'checksums': ['300f4b0825f57688b47b6d70c6a31de33512eb2fa1ac614f780939aa0cf91680'], + }), + ('clikit', '0.6.2', { + 'source_tmpl': SOURCE_WHL, + 'checksums': ['71268e074e68082306e23d7369a7b99f824a0ef926e55ba2665e911f7208489e'], + }), + ('jeepney', '0.7.1', { + 'source_tmpl': SOURCE_PY3_WHL, + 'checksums': ['1b5a0ea5c0e7b166b2f5895b91a08c14de8915afda4407fb5022a195224958ac'], + }), + ('SecretStorage', '3.3.1', { + 'checksums': ['fd666c51a6bf200643495a04abb261f83229dcb6fd8472ec393df7ffc8b6f195'], + }), + ('keyring', '21.2.0', { + 'modulename': False, # Doesn't work properly if HOME directory contains keys + 'checksums': ['197fd5903901030ef7b82fe247f43cfed2c157a28e7747d1cfcf4bc5e699dd03'], + }), + ('keyrings.alt', '4.1.0', { + 'modulename': False, + 'checksums': ['52ccb61d6f16c10f32f30d38cceef7811ed48e086d73e3bae86f0854352c4ab2'], + }), + ('tomlkit', '0.7.2', { + 'source_tmpl': SOURCE_WHL, + 'checksums': ['173ad840fa5d2aac140528ca1933c29791b79a374a0861a80347f42ec9328117'], + }), + ('shellingham', '1.4.0', { + 'checksums': ['4855c2458d6904829bd34c299f11fdeed7cfefbf8a2c522e4caea6cd76b3171e'], + }), + ('requests-toolbelt', '0.9.1', { + 'checksums': ['968089d4584ad4ad7c171454f0a5c6dac23971e9472521ea3b6d49d610aa6fc0'], + }), + ('pyrsistent', '0.18.0', { + 'checksums': ['773c781216f8c2900b42a7b638d5b517bb134ae1acbebe4d1e8f1f41ea60eb4b'], + }), + ('pkginfo', '1.7.1', { + 'checksums': ['e7432f81d08adec7297633191bbf0bd47faf13cd8724c3a13250e51d542635bd'], + }), + ('ptyprocess', '0.7.0', { + 'source_tmpl': SOURCE_WHL, + 'checksums': ['4b41f3967fce3af57cc7e94b888626c18bf37a083e3651ca8feeb66d492fef35'], + }), + ('pexpect', '4.8.0', { + 'checksums': ['fc65a43959d153d0114afe13997d439c22823a27cefceb5ff35c2178c6784c0c'], + }), + ('jsonschema', '3.2.0', { + 'checksums': ['c8a85b28d377cc7737e46e2d9f2b4f44ee3c0e1deac6bf46ddefc7187d30797a'], + }), + ('simplejson', '3.17.3', { + 'checksums': ['da72a452bcf4349fc467a12b54ab0e63e654a571cacc44084826d52bde12b6ee'], + }), + ('webencodings', '0.5.1', { + 'checksums': ['b36a1c245f2d304965eb4e0a82848379241dc04b865afcc4aab16748587e1923'], + }), + ('html5lib', '1.1', { + 'checksums': ['b2e5b40261e20f354d198eae92afc10d750afb487ed5e50f9c4eaf07c184146f'], + }), + ('cleo', '0.8.1', { + 'source_tmpl': SOURCE_WHL, + 'checksums': ['141cda6dc94a92343be626bb87a0b6c86ae291dfc732a57bf04310d4b4201753'], + }), + ('cachy', '0.3.0', { + 'checksums': ['186581f4ceb42a0bbe040c407da73c14092379b1e4c0e327fdb72ae4a9b269b1'], + }), + ('msgpack', '1.0.2', { + 'checksums': ['fae04496f5bc150eefad4e9571d1a76c55d021325dcd484ce45065ebbdd00984'], + }), + ('CacheControl', '0.12.6', { + 'checksums': ['be9aa45477a134aee56c8fac518627e1154df063e85f67d4f83ce0ccc23688e8'], + }), + ('lockfile', '0.12.2', { + 'checksums': ['6aed02de03cba24efabcd600b30540140634fc06cfa603822d508d5361e9f799'], + }), + ('poetry-core', '1.0.3', { + 'modulename': 'poetry.core', + 'checksums': ['2315c928249fc3207801a81868b64c66273077b26c8d8da465dccf8f488c90c5'], + }), + ('glob2', '0.7', { + 'checksums': ['85c3dbd07c8aa26d63d7aacee34fa86e9a91a3873bc30bf62ec46e531f92ab8c'], + }), + ('poetry', '1.1.7', { + 'checksums': ['3833c7b22411b8393e8e594fede94f0ef7a5260c19f51e272cce76512cffe6c8'], + }), + ('fsspec', '2021.7.0', { + 'checksums': ['792ebd3b54de0b30f1ce73f0ba0a8bcc864724f2d9f248cb8d0ece47db0cbde8'], + }), + ('threadpoolctl', '2.2.0', { + 'checksums': ['86d4b6801456d780e94681d155779058759eaef3c3564758b17b6c99db5f81cb'], + }), + ('simplegeneric', '0.8.1', { + 'source_tmpl': 'simplegeneric-%(version)s.zip', + 'checksums': ['dc972e06094b9af5b855b3df4a646395e43d1c9d0d39ed345b7393560d0b9173'], + }), +] + +moduleclass = 'lang' diff --git a/p/protobuf/protobuf-2.5.0.eb b/p/protobuf/protobuf-2.5.0.eb index df453dcb..80c32871 100644 --- a/p/protobuf/protobuf-2.5.0.eb +++ b/p/protobuf/protobuf-2.5.0.eb @@ -9,7 +9,7 @@ description = """Google Protocol Buffers""" toolchain = SYSTEM sources = [SOURCE_TAR_GZ] -source_urls = [GOOGLECODE_SOURCE] +source_urls = ['https://storage.googleapis.com/google-code-archive-downloads/v2/code.google.com/protobuf/'] sanity_check_paths = { 'files': ['bin/protoc'], diff --git a/s/Singularity/Singularity-3.8.6.eb b/s/Singularity/Singularity-3.8.6.eb new file mode 100644 index 00000000..2ac592b4 --- /dev/null +++ b/s/Singularity/Singularity-3.8.6.eb @@ -0,0 +1,47 @@ +# IT4Innovations +# LK 2022 + +# Dokoncit `make install` rucne, nejde bez ROOTa !!! +# /apps/all/Singularity/3.7.0/etc/singularity/singularity.conf nv=yes !!! +# Poslat info na tomas.karasek@vsb.cz o zmene... + +easyblock = 'ConfigureMake' + +name = 'Singularity' +version = '3.8.6' + +homepage = 'https://github.com/sylabs/singularity' +description = "Singularity is an open source container platform designed to be simple, fast, and secure. Singularity is optimized for EPC and HPC workloads, allowing untrusted users to run untrusted containers in a trusted way." + +toolchain = SYSTEM + +source_urls = ['https://github.com/hpcng/singularity/releases/download/v%s/' % version] +sources = ['singularity-%(version)s.tar.gz'] + +builddependencies = [ + ('Go', '1.17.6'), +] + +dependencies = [ + ('squashfs-tools', '4.3'), +] + +osdependencies = [ + ('openssl-devel', 'libssl-dev', 'libopenssl-devel'), +] + +skipsteps = ['configure'] +prebuildopts = './mconfig --prefix=%(installdir)s && ' +buildopts = '-C ./builddir' + + +postinstallcmds = [ + 'echo "mksquashfs path = /apps/all/squashfs-tools/4.3/bin" >> %(installdir)s/etc/singularity/singularity.conf', +] + +sanity_check_paths = { + 'files': ['bin/singularity'], + 'dirs': ['bin', 'etc', 'libexec', 'var'], +} + +moduleclass = 'tools' diff --git a/u/UCX/UCX-1.11.2-GCC-10.2.0-CUDA-11.6.0.eb b/u/UCX/UCX-1.11.2-GCC-10.2.0-CUDA-11.6.0.eb new file mode 100644 index 00000000..72745620 --- /dev/null +++ b/u/UCX/UCX-1.11.2-GCC-10.2.0-CUDA-11.6.0.eb @@ -0,0 +1,49 @@ +# IT4Innovations +# LK 2022 + +easyblock = 'ConfigureMake' + +name = 'UCX' +version = '1.11.2' +versionsuffix= '-CUDA-11.6.0' + +homepage = 'http://www.openucx.org/' +description = """Unified Communication X +An open-source production grade communication framework for data centric +and high-performance applications +""" + +toolchain = {'name': 'GCC', 'version': '10.2.0'} +toolchainopts = {'pic': True} + +source_urls = ['https://github.com/openucx/ucx/releases/download/v%(version)s'] +sources = ['%(namelower)s-%(version)s.tar.gz'] +#patches = ['%(name)s-%(version)s.patch'] + +builddependencies = [ + ('Autotools', '20200321'), + ('pkg-config', '0.29.2'), +] + +osdependencies = [OS_PKG_IBVERBS_DEV] + +dependencies = [ + ('numactl', '2.0.13'), + ('CUDAcore', '11.6.0', '', True), +] + +configure_cmd = "contrib/configure-release" + +configopts = '--enable-optimizations --enable-cma --enable-mt --with-verbs --with-gdrcopy=$EBROOTGDRCOPY ' +configopts += '--without-java --disable-doxygen-doc --with-cuda=$EBROOTCUDACORE ' + +buildopts = 'V=1' + +sanity_check_paths = { + 'files': ['bin/ucx_info', 'bin/ucx_perftest', 'bin/ucx_read_profile'], + 'dirs': ['include', 'lib', 'share'] +} + +#sanity_check_commands = ["ucx_info -d"] + +moduleclass = 'lib' diff --git a/u/UCX/UCX-1.11.2-NVHPC-22.2-CUDA-11.6.0.eb b/u/UCX/UCX-1.11.2-NVHPC-22.2-CUDA-11.6.0.eb new file mode 100644 index 00000000..99a9e170 --- /dev/null +++ b/u/UCX/UCX-1.11.2-NVHPC-22.2-CUDA-11.6.0.eb @@ -0,0 +1,50 @@ +# IT4Innovations +# LK 2022 + +easyblock = 'ConfigureMake' + +name = 'UCX' +version = '1.11.2' +versionsuffix= '-CUDA-11.6.0' + +homepage = 'http://www.openucx.org/' +description = """Unified Communication X +An open-source production grade communication framework for data centric +and high-performance applications +""" + +toolchain = {'name': 'NVHPC', 'version': '22.2'} +toolchainopts = {'pic': True} + +source_urls = ['https://github.com/openucx/ucx/releases/download/v%(version)s'] +sources = ['%(namelower)s-%(version)s.tar.gz'] +#patches = ['%(name)s-%(version)s.patch'] + +builddependencies = [ + ('binutils', '2.35'), + ('Autotools', '20200321'), + ('pkg-config', '0.29.2'), +] + +osdependencies = [OS_PKG_IBVERBS_DEV] + +dependencies = [ + ('numactl', '2.0.13'), + ('CUDAcore', '11.6.0', '', True), +] + +configure_cmd = "contrib/configure-release" + +configopts = '--enable-optimizations --enable-cma --enable-mt --with-verbs --with-gdrcopy=$EBROOTGDRCOPY ' +configopts += '--without-java --disable-doxygen-doc --with-cuda=$EBROOTCUDACORE ' + +buildopts = 'V=1' + +sanity_check_paths = { + 'files': ['bin/ucx_info', 'bin/ucx_perftest', 'bin/ucx_read_profile'], + 'dirs': ['include', 'lib', 'share'] +} + +#sanity_check_commands = ["ucx_info -d"] + +moduleclass = 'lib' diff --git a/v/VTK/VTK-9.1.0-intel-2020b-Python-3.8.6.eb b/v/VTK/VTK-9.1.0-intel-2020b-Python-3.8.6.eb new file mode 100644 index 00000000..5795926c --- /dev/null +++ b/v/VTK/VTK-9.1.0-intel-2020b-Python-3.8.6.eb @@ -0,0 +1,88 @@ +## +# This file is an EasyBuild reciPY as per https://github.com/easybuilders/easybuild +# +# Copyright:: Copyright 2012-2014 Uni.Lu/LCSB, NTUA +# Authors:: Fotis Georgatos +# License:: MIT/GPL +# +# This work implements a part of the HPCBIOS project and is a component of the policy: +# https://hpcbios.readthedocs.org/en/latest/HPCBIOS_2012-97.html +## + +easyblock = 'CMakeMake' + +name = 'VTK' +version = '9.1.0' +versionsuffix = '-Python-%(pyver)s' + +homepage = 'https://www.vtk.org' +description = """The Visualization Toolkit (VTK) is an open-source, freely available software system for + 3D computer graphics, image processing and visualization. VTK consists of a C++ class library and several + interpreted interface layers including Tcl/Tk, Java, and Python. VTK supports a wide variety of visualization + algorithms including: scalar, vector, tensor, texture, and volumetric methods; and advanced modeling techniques + such as: implicit modeling, polygon reduction, mesh smoothing, cutting, contouring, and Delaunay triangulation.""" + +toolchain = {'name': 'intel', 'version': '2020b'} +toolchainopts = {'usempi': True} + +source_urls = ['https://www.vtk.org/files/release/%(version_major_minor)s'] +sources = [ + SOURCE_TAR_GZ, + '%(name)sData-%(version)s.tar.gz', +] +patches = [('vtk-version.egg-info', '.')] + +builddependencies = [('CMake', '3.18.4')] + +dependencies = [ + ('Python', '3.8.6'), + ('SciPy-bundle', '2020.11'), + ('XZ', '5.2.5'), + ('libGLU', '9.0.1'), + ('X11', '20201008'), +] + +separate_build_dir = True + +# OpenGL +configopts = "-DOPENGL_glu_LIBRARY=$EBROOTLIBGLU/lib/libGLU.%s " % SHLIB_EXT +configopts += "-DOPENGL_gl_LIBRARY=$EBROOTMESA/lib/libGL.%s " % SHLIB_EXT +configopts += "-DOPENGL_INCLUDE_DIR=$EBROOTMESA/include " +# Python +configopts += "-DVTK_WRAP_PYTHON=ON -DVTK_PYTHON_VERSION=3 -DVTK_PYTHON_OPTIONAL_LINK=OFF " +# Other +configopts += "-DVTK_USE_MPI=ON " +configopts += "-DCMAKE_INSTALL_LIBDIR=lib" + +preinstallopts = "export PYTHONPATH=%(installdir)s/lib/python%(pyshortver)s/site-packages:$PYTHONPATH && " + +# Install a egg-info file so VTK is more python friendly, required for mayavi +local_egg_info_src = '%(builddir)s/VTK-%(version)s/vtk-version.egg-info' +local_egg_info_dest = '%(installdir)s/lib/python%(pyshortver)s/site-packages/vtk-%(version)s.egg-info' +postinstallcmds = [ + 'sed "s/#VTK_VERSION#/%%(version)s/" %s > %s' % (local_egg_info_src, local_egg_info_dest), +] + +modextrapaths = {'PYTHONPATH': ['lib/python%(pyshortver)s/site-packages']} + +local_vtk_exec = ['vtk%s-%%(version_major_minor)s' % x + for x in ['WrapJava', 'ParseJava', 'WrapPythonInit', 'WrapPython', 'WrapHierarchy']] +local_vtk_exec += ['vtkpython'] +local_vtk_libs = ['CommonCore', 'IONetCDF', 'ParallelCore', 'RenderingOpenGL2'] + +sanity_check_paths = { + 'files': ['bin/%s' % x for x in local_vtk_exec] + ['include/vtk-%(version_major_minor)s/vtkMPI.h'] + + ['lib/libvtk%s-%%(version_major_minor)s.%s' % (l, SHLIB_EXT) for l in local_vtk_libs], + 'dirs': ['lib/python%(pyshortver)s/site-packages/', 'include/vtk-%(version_major_minor)s'], +} + +sanity_check_commands = [ + "python -c 'import %(namelower)s'", + "python -c 'import pkg_resources; pkg_resources.get_distribution(\"vtk\")'", + # make sure that VTK Python libraries link to libpython (controlled via DVTK_PYTHON_OPTIONAL_LINK=OFF), + # see https://gitlab.kitware.com/vtk/vtk/-/issues/17881 + "ldd $EBROOTVTK/lib/libvtkPythonContext2D-%%(version_major_minor)s.%s | grep /libpython" % SHLIB_EXT, +] + + +moduleclass = 'vis' diff --git a/z/zlib/zlib-1.2.11.eb b/z/zlib/zlib-1.2.11.eb deleted file mode 100644 index 33229ecd..00000000 --- a/z/zlib/zlib-1.2.11.eb +++ /dev/null @@ -1,31 +0,0 @@ -# IT4Innovations 2018 - -easyblock = 'ConfigureMake' - -name = 'zlib' -version = '1.2.11' - -homepage = 'http://www.zlib.net/' -description = """zlib is designed to be a free, general-purpose, legally unencumbered -- that is, - not covered by any patents -- lossless data-local_compression library for use on virtually any - local_computer hardware and operating system.""" - -toolchain = SYSTEM -toolchainopts = {'pic': True} - -source_urls = ['http://zlib.net/fossils'] -sources = [SOURCELOWER_TAR_GZ] - -buildopts = "CFLAGS='-fPIC'" - -sanity_check_paths = { - 'files': [ - 'include/zconf.h', - 'include/zlib.h', - 'lib/libz.a', - 'lib/libz.%s' % - SHLIB_EXT], - 'dirs': [], -} - -moduleclass = 'lib'