diff --git a/c/Clang/Clang-18.1.8-GCCcore-13.2.0-CUDA-12.24.0.eb b/c/Clang/Clang-18.1.8-GCCcore-13.2.0-CUDA-12.24.0.eb new file mode 100644 index 00000000..377c898b --- /dev/null +++ b/c/Clang/Clang-18.1.8-GCCcore-13.2.0-CUDA-12.24.0.eb @@ -0,0 +1,54 @@ +# IT4Innovations +# LK 2024 + +name = 'Clang' +version = '18.1.8' +versionsuffix = '-CUDA-12.4.0' + +homepage = 'https://clang.llvm.org/' +description = """C, C++, Objective-C compiler, based on LLVM. Does not + include C++ standard library -- use libstdc++ from GCC.""" + +# Clang also depends on libstdc++ during runtime, but this dependency is +# already specified as the toolchain. +toolchain = {'name': 'GCCcore', 'version': '13.2.0'} + +source_urls = ["https://github.com/llvm/llvm-project/releases/download/llvmorg-%(version)s"] +sources = [ + 'llvm-project-%(version)s.src.tar.xz', +] +checksums = [ + {'llvm-project-18.1.8.src.tar.xz': '0b58557a6d32ceee97c8d533a59b9212d87e0fc4d2833924eb6c611247db2f2a'}, +] + +builddependencies = [ + ('CMake', '3.27.6'), + ('Perl', '5.38.0'), + # Including Python bindings would require this as a runtime dep + ('Python', '3.11.5'), +] +dependencies = [ + # since Clang is a compiler, binutils is a runtime dependency too + ('binutils', '2.40'), + ('hwloc', '2.9.2'), + ('libxml2', '2.11.5'), + ('ncurses', '6.4'), + ('GMP', '6.3.0'), + ('Z3', '4.13.0'), + ('CUDA', '12.4.0', '', True), +] + +# enabling RTTI makes the flang compiler need to link to libc++ so instead of +# flang-new -flang-experimental-exec -fopenmp hello_openmp.f90 +# you would need +# flang-new -flang-experimental-exec -fopenmp hello_openmp.f90 -l c++ +enable_rtti = False + +assertions = True +python_bindings = False +skip_all_tests = True + +llvm_runtimes = ['libunwind', 'libcxx', 'libcxxabi'] +llvm_projects = ['polly', 'lld', 'lldb', 'clang-tools-extra', 'flang'] + +moduleclass = 'compiler' diff --git a/m/MRCC/MRCC-2023-08-intel-2021b.eb b/m/MRCC/MRCC-2023-08-intel-2021b.eb new file mode 100644 index 00000000..a8b24f7f --- /dev/null +++ b/m/MRCC/MRCC-2023-08-intel-2021b.eb @@ -0,0 +1,36 @@ +easyblock = 'ConfigureMake' + +name = 'MRCC' +version = '2023.08' +homepage = 'https://www.mrcc.hu/' +description = """MRCC is a software package for ab initio calculations of molecular electronic structure.""" +toolchain = {'name': 'intel', 'version': '2021b'} + +source_urls = ['https://www.mrcc.hu/downloads/'] +sources = ['mrcc-2023-08.tar.gz'] + +dependencies = [] + +sanity_check_paths = { + 'files': ['bin/mrcc', 'README.md'], + 'dirs': ['lib', 'include'], +} + +moduleclass = 'chem' + +sanity_check_commands = [ + 'bin/mrcc --version', + 'bin/mrcc ' +] + +docurls = [ + 'https://www.mrcc.hu/index.php/getting-started/installation' +] + +prebuildopts = 'export LICENSE_SERVER= && ' + +postinstallcmds = [ + 'echo "MRCC installed successfully. Please ensure you have the appropriate license."' +] + +