diff --git a/g/grace/grace-5.1.25-gompi-2022a.eb b/g/grace/grace-5.1.25-gompi-2022a.eb new file mode 100644 index 00000000..a563313f --- /dev/null +++ b/g/grace/grace-5.1.25-gompi-2022a.eb @@ -0,0 +1,33 @@ +# IT4Innovations 2022 +# JK + +easyblock = 'ConfigureMake' + +name = 'grace' +version = '5.1.25' + +homepage = 'https://plasma-gate.weizmann.ac.il/Grace/' +description = """Grace is a WYSIWYG 2D plotting tool for X Windows System and Motif.""" + +source_urls = ['https://plasma-gate.weizmann.ac.il/pub/grace/src/stable/'] +sources = [SOURCE_TAR_GZ] + +toolchain = {'name': 'GCCcore', 'version': '11.3.0'} + +# je treba udelat novy i s dependencemi +dependencies = [ + ('motif', '2.3.8'), +# ('netCDF', '4.9.0'), +] + +runtest = 'tests' + +# we also need to run make links right before or after make install. +installopts = 'links' + +sanity_check_paths = { + 'files': ['bin/xmgrace'], + 'dirs': [], +} + +moduleclass = 'vis' diff --git a/q/QuantumESPRESSO/QuantumESPRESSO-7.1-NVHPC-21.9.eb b/q/QuantumESPRESSO/QuantumESPRESSO-7.1-NVHPC-21.9.eb index 338b58d2..80be398f 100644 --- a/q/QuantumESPRESSO/QuantumESPRESSO-7.1-NVHPC-21.9.eb +++ b/q/QuantumESPRESSO/QuantumESPRESSO-7.1-NVHPC-21.9.eb @@ -69,4 +69,8 @@ parallel = 1 #skipsteps = ['sanitycheck'] +modluafooter = """ +add_property('arch', 'gpu') +""" + moduleclass = 'chem'