diff --git a/h/Hypre/Hypre-2.18.2-intel-2020a.eb b/h/Hypre/Hypre-2.18.2-intel-2020a.eb new file mode 100644 index 00000000..2ef3d821 --- /dev/null +++ b/h/Hypre/Hypre-2.18.2-intel-2020a.eb @@ -0,0 +1,20 @@ +# IT4Innovations 2020 + +name = 'Hypre' +version = '2.18.2' + +homepage = 'https://computation.llnl.gov/projects/hypre-scalable-linear-solvers-multigrid-methods' +description = """Hypre is a library for solving large, sparse linear systems of equations on massively + parallel computers. The problems of interest arise in the simulation codes being developed at LLNL + and elsewhere to study physical phenomena in the defense, environmental, energy, and biological sciences.""" + +toolchain = {'name': 'intel', 'version': '2020a'} +toolchainopts = {'pic': True} + +source_urls = ['https://github.com/hypre-space/hypre/archive/'] +sources = ['v%(version)s.tar.gz'] +checksums = ['28007b5b584eaf9397f933032d8367788707a2d356d78e47b99e551ab10cc76a'] + +start_dir = 'src' + +moduleclass = 'numlib' diff --git a/n/numba/numba-0.48.0-Py-3.7.eb b/n/numba/numba-0.48.0-Py-3.7.eb new file mode 100644 index 00000000..febfb93d --- /dev/null +++ b/n/numba/numba-0.48.0-Py-3.7.eb @@ -0,0 +1,51 @@ +# IT4Innovations 2020 + +easyblock = 'PythonBundle' + +name = 'numba' +version = '0.48.0' + +homepage = 'https://numba.pydata.org/' +description = """Numba is an Open Source NumPy-aware optimizing compiler for +Python sponsored by Continuum Analytics, Inc. It uses the remarkable LLVM +compiler infrastructure to compile Python syntax to machine code.""" + +toolchain = {'name': 'Py', 'version': '3.7'} +toolchainopts = {'pic': True} + +dependencies = [ + ('numpy', '1.8.1'), + ('scipy', '1.4.1'), + ('LLVM', '8.0.1'), +] + +use_pip = True +sanity_pip_check = True + +exts_default_options = {'source_urls': [PYPI_SOURCE]} + +exts_list = [ + ('llvmlite', '0.31.0', { + 'patches': ['llvmlite-0.31.0_fix-ffi-Makefile.patch'], + 'preinstallopts': "export LLVM_CONFIG=${EBROOTLLVM}/bin/llvm-config && ", + 'checksums': [ + '22ab2b9d7ec79fab66ac8b3d2133347de86addc2e2df1b3793e523ac84baa3c8', # llvmlite-0.31.0.tar.gz + # llvmlite-0.31.0_fix-ffi-Makefile.patch + '672aba7b753dcfe5cb07c731bf1ec8bde1de148d4e0e2d10f6be81fb17f34bbc', + ], + }), + (name, version, { + 'checksums': ['c0703df0a0ea2e29fbef7937d9849cc4734253066cb5820c5d6e0851876e3b0a'], + }), +] + +fix_python_shebang_for = ['bin/*'] + +sanity_check_paths = { + 'files': ['bin/numba', 'bin/pycc'], + 'dirs': ['lib/python%(pyshortver)s/site-packages'], +} + +sanity_check_commands = ["numba --help"] + +moduleclass = 'lang' diff --git a/p/PETSc/PETSc-3.12.4-intel-2020a.eb b/p/PETSc/PETSc-3.12.4-intel-2020a.eb index 074f5f2f..778b2808 100644 --- a/p/PETSc/PETSc-3.12.4-intel-2020a.eb +++ b/p/PETSc/PETSc-3.12.4-intel-2020a.eb @@ -24,7 +24,7 @@ checksums = [ '64cf9d5008d5e92117e65bdec5316d991b6a6b8c8ecf7ea46eb790a498266297', # PETSc_ranlib-fix.patch ] -builddependencies = [('CMake', '3.16.2')] +builddependencies = [('CMake', '3.16.2', '', True)] dependencies = [ ('Boost', '1.72.0'), diff --git a/p/petsc4py/petsc4py-3.12.0-Py-3.7.eb b/p/petsc4py/petsc4py-3.12.0-Py-3.7.eb new file mode 100644 index 00000000..1c9d11e3 --- /dev/null +++ b/p/petsc4py/petsc4py-3.12.0-Py-3.7.eb @@ -0,0 +1,29 @@ +# IT4Innovations 2020 + +easyblock = "PythonPackage" + +name = "petsc4py" +version = "3.12.0" + +homepage = 'https://code.google.com/p/petsc4py/' +description = """petsc4py are Python bindings for PETSc, the Portable, Extensible Toolchain for Scientific Computation.""" + + +toolchain = {'name': 'Py', 'version': '3.7'} + +source_urls = [PYPI_SOURCE] +sources = [SOURCE_TAR_GZ] + +dependencies = [ + ('PETSc', '3.12.4', '', ('intel', '2020a')), + ('numpy', '1.18.1'), +] + +sanity_check_commands = ["python -c 'from petsc4py import PETSc'"] + +sanity_check_paths = { + 'files': [], + 'dirs': ['lib/python3.7/site-packages/%(name)s'] +} + +moduleclass = 'tools' diff --git a/p/pybind11/pybind11-2.4.3-Py-3.7.eb b/p/pybind11/pybind11-2.4.3-Py-3.7.eb new file mode 100644 index 00000000..63a8ef78 --- /dev/null +++ b/p/pybind11/pybind11-2.4.3-Py-3.7.eb @@ -0,0 +1,20 @@ +# IT4Innovations 2020 + +easyblock = "PythonPackage" +name = 'pybind11' +version = '2.4.3' + +homepage = 'https://pypi.python.org/pypi/pybind11' +description = 'pybind11 is a lightweight header-only library that exposes C++ types in Python and vice versa, mainly to create Python bindings of existing C++ code.' + +toolchain = {'name': 'Py', 'version': '3.7'} + +source_urls = [PYPI_SOURCE] +sources = [SOURCE_TAR_GZ] + +sanity_check_paths = { + 'dirs': [], + 'files': ['lib/python3.7/site-packages/%(name)s-%(version)s-py3.7.egg'], +} + +moduleclass = 'python' diff --git a/s/SLEPc/SLEPc-3.12.2-intel-2020a.eb b/s/SLEPc/SLEPc-3.12.2-intel-2020a.eb new file mode 100644 index 00000000..ca0d3ac0 --- /dev/null +++ b/s/SLEPc/SLEPc-3.12.2-intel-2020a.eb @@ -0,0 +1,23 @@ +# IT4Innovations 2020 + +name = 'SLEPc' +version = '3.12.2' + +homepage = 'https://slepc.upv.es/' +description = """SLEPc (Scalable Library for Eigenvalue Problem Computations) is a software library for the solution + of large scale sparse eigenvalue problems on parallel computers. It is an extension of PETSc and can be used for + either standard or generalized eigenproblems, with real or complex arithmetic. It can also be used for computing a + partial SVD of a large, sparse, rectangular matrix, and to solve quadratic eigenvalue problems.""" + +toolchain = {'name': 'intel', 'version': '2020a'} +toolchainopts = {'usempi': True, 'openmp': True} + +source_urls = ['https://slepc.upv.es/download/distrib'] +sources = [SOURCELOWER_TAR_GZ] +checksums = ['a586ce572a928ed87f04961850992a9b8e741677397cbaa3fb028323eddf4598'] + +dependencies = [('PETSc', '3.12.4')] + +petsc_arch = 'installed-arch-linux2-c-opt' + +moduleclass = 'numlib' diff --git a/s/scipy/scipy-1.4.1-Py-3.7.eb b/s/scipy/scipy-1.4.1-Py-3.7.eb new file mode 100644 index 00000000..1303e118 --- /dev/null +++ b/s/scipy/scipy-1.4.1-Py-3.7.eb @@ -0,0 +1,33 @@ +# IT4Innovations 2020 + +easyblock = 'PythonPackage' + +name = 'scipy' +version = '1.4.1' + +homepage = 'http://scipy.org' +description = """SciPy (pronounced 'Sigh Pie') is open-source software for mathematics, science, and engineering. + It includes modules for statistics, optimization, integration, linear algebra, Fourier transforms, signal and + image processing, ODE solvers, and more.""" + +toolchain = {'name': 'Py', 'version': '3.7'} +toolchainopts = {'pic': True} + +source_urls = [PYPI_SOURCE] +sources = [SOURCELOWER_TAR_GZ] + +dependencies = [ + ('numpy', '1.18.1'), + ('pybind11', '2.4.3'), + ('mkl', '2019.5.281', '', True), +] + +prebuildopts = 'unset LDFLAGS && ' + +sanity_check_paths = {'files': [], 'dirs': [ + 'lib/python3.7/site-packages/%(name)s-%(version)s-py3.7-linux-x86_64.egg/scipy'], } + +sanity_check_commands = [ + ('python', '-c "import scipy; assert(scipy.__version__ == \'%(version)s\')"')] + +moduleclass = 'python' diff --git a/s/slepc4py/slepc4py-3.12.0-Py-3.7.eb b/s/slepc4py/slepc4py-3.12.0-Py-3.7.eb index dbce9ab0..1ca7e8f4 100644 --- a/s/slepc4py/slepc4py-3.12.0-Py-3.7.eb +++ b/s/slepc4py/slepc4py-3.12.0-Py-3.7.eb @@ -12,13 +12,14 @@ toolchain = {'name': 'Py', 'version': '3.7'} source_urls = [PYPI_SOURCE] sources = [SOURCE_TAR_GZ] -#dependencies = [ -# ('MarkupSafe', '1.0'), -#] +dependencies = [ + ('SLEPc', '3.12.2', '', ('intel', '2020a')), + ('petsc4py', '3.12.0'), +] sanity_check_paths = { 'files': [], - 'dirs': ['lib/python3.7/site-packages/%(name)s-%(version)s-py3.7.egg'], + 'dirs': ['lib/python3.7/site-packages/%(name)s'], } moduleclass = 'python'