Merge branch 'it4i-barbora'

r/ReSpect/ReSpect-5.1.0.eb

@@ -0,0 +1,24 @@
+easyblock = 'Binary'
+
+name = 'ReSpect'
+version = '5.1.0'
+
+homepage = "http://www.respectprogram.org/index.html"
+description = """ReSpect is a computer simulation program enabling the prediction and understanding of molecular and material properties from advanced first-principle relativistic DFT calculations."""
+
+toolchain = SYSTEM
+
+# have to write an email to authors to get download link
+# ownership set to root:respect!!! members of the respect approved by authors
+sources = ["ReSpect_5.1.0_beta_x86_64_OMP_intel-18.3_static.tar.gz"]
+
+extract_sources = True
+
+sanity_check_paths = {
+	'files': ['ReSpect-mDKS.x', 'ehmacc.x', 'mDKS-pNMR.x', 'respect', 'test/testrs.py'],
+	'dirs': ['basis', 'tutorial', 'test', 'util', 'test/1c-properties', 'test/grid', 'test/MAG', 'test/method', 'test/prop1', 'test/tdscf'],
+}
+
+
+
+moduleclass = 'phys'