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Golden_Repo/c/CP2K/CP2K-8.2.0-iomkl-2021b.eb

@@ -38,14 +38,14 @@ patches = [
     'CP2K-8.2_elpa.patch',
 ]
 
-checksums = ['d82c554e764dc16f94c1f671d0cf6523be58360bf9a2d2cbabbad0e73fbcffb2',
+checksums = [
+    'd82c554e764dc16f94c1f671d0cf6523be58360bf9a2d2cbabbad0e73fbcffb2',
     'ba6b53dae5afaccd5d80199c61989ab34405608b50bef16577f780a86518e6b8',
     '331886aea9d093d8c44b95a07fab13d47f101b1f94a0640d7d670eb722bf90ac',
     'a8f484930953c3689b4bffbb45d1d3e9abec69a7425b79dfb2d2b64459359c97',
     '33c765f5e119541d943c0d9386059e1ef6f82ca1f2e9490adeca6b86656b5b2d'
 ]
 
-
 dependencies = [
     ('ELPA', '2021.11.001'),
     ('Libint', '2.7.0-beta.6', '_cp2k_lmax5', ('intel-compilers', '2021.4.0')),
@@ -84,7 +84,6 @@ dbcsr_version = '2.1.0'
 # additional DFLAGS
 extradflags = '-D__MKL -D__LIBVORI'
 
-
 # regression test reports failures
 ignore_regtest_fails = False
 
@@ -92,3 +91,4 @@ modextravars = {
     'CP2K_DATA_DIR': '%(installdir)s/data',
 }
 
+moduleclass = 'chem'