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Code Issues Releases Wiki Activity

Repaired Travis

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This commit is contained in:
Anthony Scemama 2015-05-28 13:18:34 +02:00
parent 0267780a19
commit e4942942eb
2 changed files with 3 additions and 2 deletions
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3
src/Makefile.config.example
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@ -2,7 +2,7 @@ OPENMP =1
PROFILE =0
DEBUG = 0
IRPF90_FLAGS+= --align=32
IRPF90_FLAGS+= --align=32
FC = ifort -g
#FC = cache_compile.py ifort -g # Accelerates compilation
FCFLAGS=
@ -13,6 +13,7 @@ FCFLAGS+= -ip
FCFLAGS+= -opt-prefetch
FCFLAGS+= -ftz
MKL=-mkl=parallel
NINJA=ninja
ifeq ($(PROFILE),1)
FC += -p -g

2
tests/unit_test/unit_test.py
View File

@ -169,7 +169,7 @@ def run_hf(geo, basis, mult=1, pseudo=False, remove_after_sucess=True):
ref_energy["sto-3g"]["methane"] = Energy(-39.7267433402, None)
ref_energy["vdz"]["SO2"] = Energy(None, -41.48912297776174)
ref_energy["vdz"]["HBO"] = Energy(None, -19.11982530413317)
ref_energy["vdz"]["HBO"] = Energy(None, -19.119821904)
# ~#~#~#~#~#~#~#~#~#~#~#~#~#~#~ #
# G l o b a l _ v a r i a b l e #