diff --git a/s/Serenity/Serenity-1.6.0-foss-2022a.eb b/s/Serenity/Serenity-1.6.0-foss-2022a.eb new file mode 100644 index 00000000..f85a23da --- /dev/null +++ b/s/Serenity/Serenity-1.6.0-foss-2022a.eb @@ -0,0 +1,32 @@ +# IT4Innovations 2024 +# BS +# LK 2024 edit + +easyblock = 'CMakeMake' + +name = 'Serenity' +version = '1.6.0' + +homepage = 'https://github.com/qcserenity/serenity' +description = """Serenity is a quantum chemistry code originally developed in the group of Johannes Neugebauer at the University of Münster.""" + +toolchain = {'name': 'foss', 'version': '2022a'} + +source_urls = ['https://github.com/qcserenity/serenity/archive/refs/tags/'] +sources = ['%(version)s.tar.gz'] +checksums = ['fd86b891d1c19f3341043329a032457a19e01bafca7022674de7559d4928c665'] + +dependencies = [ + ('CMake', '3.24.3'), + ('Boost', '1.79.0'), + ('Eigen', '3.4.0'), + ('HDF5', '1.12.2'), + ('GMP', '6.2.1'), +] + +sanity_check_paths = { + 'files': ['bin/serenity', 'lib/libserenity.a'], + 'dirs': ['bin', 'lib', 'include', 'lib64', 'share'], +} + +moduleclass = 'chem' diff --git a/w/WRF-Sfire/WRF-Sfire-4.4-foss-2023b.eb b/w/WRF-Sfire/WRF-Sfire-4.4-foss-2023b.eb new file mode 100644 index 00000000..cbff4676 --- /dev/null +++ b/w/WRF-Sfire/WRF-Sfire-4.4-foss-2023b.eb @@ -0,0 +1,25 @@ +# IT4Innovations +# LK 2024 +# --include-easyblocks=/apps/easybuild/it4i-easyblocks/w/wrf_sfire.py + +name = 'WRF-Sfire' +version = '4.4' +buildtype = 'dmpar' + +homepage = 'http://www.openwfm.org/wiki/WRF-SFIRE' +description = """WRF-Fire combines the Weather Research and Forecasting model (WRF) with a fire code implementing a + surface fire behavior model, called SFIRE, based on semi-empirical formulas calculate the rate of spread of the fire + line (the interface between burning and unignited fuel) based on fuel properties, wind velocities from WRF, and + terrain slope. The fire spread is implemented by the level set method.""" + +toolchain = {'name': 'foss', 'version': '2023b'} + +source_urls = ['https://github.com/openwfm/WRF-SFIRE/archive/refs/tags/'] +sources = ['v%(version)s.tar.gz'] +checksums = ['aba58eb476eeafef4c236508015c0cf2a43364384f4f4bbb2c563e942177ccdb'] + +dependencies = [ + ('netCDF-Fortran', '4.6.1'), +] + +moduleclass = 'geo'