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https://github.com/LCPQ/quantum_package
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gfortran options
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@ -10,7 +10,7 @@
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#
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#
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[COMMON]
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FC : gfortran -ffree-line-length-none -I .
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FC : gfortran -ffree-line-length-none
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LAPACK_LIB : -lblas -llapack
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IRPF90 : irpf90
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IRPF90_FLAGS : --ninja --align=32
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@ -29,21 +29,20 @@ OPENMP : 1 ; Append OpenMP flags
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# Optimization flags
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####################
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#
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# -march=native : Compile a binary optimized for the current architecture
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# -Ofast : Disregard strict standards compliance. Enables all -O3 optimizations.
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# It also enables optimizations that are not valid
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# for all standard-compliant programs. It turns on
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# -ffast-math and the Fortran-specific
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# -fno-protect-parens and -fstack-arrays.
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[OPT]
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FCFLAGS : -Ofast -march=native
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FCFLAGS : -Ofast
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# Profiling flags
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#################
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#
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[PROFILE]
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FC : -p -g
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FCFLAGS : -Ofast -march=native
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FCFLAGS : -Ofast
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# Debugging flags
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#################
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8
configure
vendored
8
configure
vendored
@ -70,7 +70,7 @@ path_github = {"head": "http://github.com/", "tail": "archive/master.tar.gz"}
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ocaml = Info(
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url='http://raw.github.com/ocaml/opam/master/shell/opam_installer.sh',
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description=' ocaml (it will take some time roughly 20min)',
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description=' Ocaml, Opam and the Core library (it will take some time roughly 20min)',
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default_path=join(QP_ROOT_BIN, "opam"))
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m4 = Info(
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@ -95,12 +95,12 @@ path = Info(
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irpf90 = Info(
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url='{head}/LCPQ/irpf90/{tail}'.format(**path_github),
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description=' irpf90',
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description=' IRPF90',
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default_path=join(QP_ROOT_BIN, "irpf90"))
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docopt = Info(
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url='{head}/docopt/docopt/{tail}'.format(**path_github),
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description=' docop',
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description=' docopt',
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default_path=join(QP_ROOT_INSTALL, "docopt"))
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resultsFile = Info(
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@ -116,7 +116,7 @@ ninja = Info(
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emsl = Info(
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url='{head}/LCPQ/EMSL_Basis_Set_Exchange_Local/{tail}'.format(**
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path_github),
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description=' emsl',
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description=' EMSL basis set library',
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default_path=join(QP_ROOT_INSTALL, "emsl"))
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ezfio = Info(
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