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Update GNU arch file (SIRIUS 7.2.8)
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mkrack committed Dec 9, 2021
1 parent 2c76f4a commit ee171cc
Showing 1 changed file with 11 additions and 9 deletions.
20 changes: 11 additions & 9 deletions arch/Linux-x86-64-gnu.psmp
Original file line number Diff line number Diff line change
@@ -1,11 +1,11 @@
#!/bin/bash
#
# CP2K arch file for Merlin (PSI)
# CP2K arch file Merlin (PSI)
#
# Tested with: GNU 10.3.0, MPICH 3.3.2, ScaLAPACK 2.1.0, OpenBLAS 0.3.18,
# FFTW 3.3.10, LIBINT 2.6.0, LIBXC 5.1.7, ELPA 2021.05.002,
# PLUMED 2.7.3, SPGLIB 1.16.2, LIBVORI 210412, GSL 2.7,
# COSMA 2.5.1, SIRIUS 7.2.7
# COSMA 2.5.1, SIRIUS 7.2.8
#
# Usage: Source this arch file and then run make as instructed.
# The compiler version can be specified as argument.
Expand All @@ -15,9 +15,9 @@
#
# \
if [[ "${0}" == "${BASH_SOURCE}" ]]; then \
echo "ERROR: Script ${0##*/} must be sourced"; \
echo "Usage: source ${0##*/}"; \
exit 1; \
echo "ERROR: Script ${0##*/} must be sourced"; \
echo "Usage: source ${0##*/}"; \
exit 1; \
fi; \
this_file=${BASH_SOURCE##*/}; \
if [[ -n "${1}" ]]; then \
Expand Down Expand Up @@ -56,7 +56,7 @@ USE_LIBXSMM := 1.17
USE_OPENBLAS := 0.3.18
USE_PLUMED := 2.7.3
USE_SCALAPACK := 2.1.0
USE_SIRIUS := 7.2.7
USE_SIRIUS := 7.2.8
USE_SPGLIB := 1.16.2
# Only needed for SIRIUS
LIBVDWXC_VER := 0.4.0
Expand Down Expand Up @@ -305,12 +305,12 @@ ifneq ($(USE_OPENBLAS),)
endif
endif

LIBS += -ldl -lz -lstdc++

CFLAGS += $(DFLAGS)

FCFLAGS := $(CFLAGS) $(FCFLAGS_DEBUG) $(WFLAGS)
FCFLAGS += -fallow-argument-mismatch
ifeq ($(shell (( $(shell gcc -dumpversion | cut -d. -f1) > 9 )) && echo yes), yes)
FCFLAGS += -fallow-argument-mismatch
endif
FCFLAGS += -fbacktrace
FCFLAGS += -ffree-form
FCFLAGS += -ffree-line-length-none
Expand All @@ -319,4 +319,6 @@ FCFLAGS += -std=f2008

LDFLAGS += $(FCFLAGS)

LIBS += -lz -ldl -lstdc++

# End

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