diff --git a/easybuild/easyconfigs/c/Critic2/Critic2-1.2-foss-2023a.eb b/easybuild/easyconfigs/c/Critic2/Critic2-1.2-foss-2023a.eb new file mode 100644 index 00000000000..9d1605b7366 --- /dev/null +++ b/easybuild/easyconfigs/c/Critic2/Critic2-1.2-foss-2023a.eb @@ -0,0 +1,37 @@ +easyblock = 'CMakeMake' + +name = 'Critic2' +version = '1.2' + +homepage = 'https://aoterodelaroza.github.io/critic2/' +description = """Critic2 is a program for the analysis of quantum mechanical +calculation results in molecules and periodic solids.""" + +toolchain = {'name': 'foss', 'version': '2023a'} +toolchainopts = {'extra_fflags': '-ffree-line-length-none'} + +source_urls = ['https://github.com/aoterodelaroza/critic2/archive/refs/tags/'] +sources = ['%(version)s.tar.gz'] +checksums = ['b59ecffd83405dbcc4b5d157d4a94bf2756916f72e83e09a94d277d54d0f2225'] + +configopts = '-DLIBCINT_INCLUDE_DIRS=$EBROOTLIBCINT/include/ ' +configopts += '-DLIBCINT_LIBRARY=$EBROOTLIBCINT/lib64/libcint.so ' + +builddependencies = [ + ('CMake', '3.26.3'), +] + +dependencies = [ + ('libxc', '6.2.2'), + ('libcint', '5.4.0'), + ('libreadline', '8.2'), +] + +sanity_check_paths = { + 'files': ["bin/critic2"], + 'dirs': ["bin"], +} + +sanity_check_commands = ['critic2 -h'] + +moduleclass = 'chem'