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Include tblite into Apple M1 test

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This commit is contained in:
Matthias Krack 2025-05-16 15:46:24 +02:00
parent 0c09db927b
commit 32ddf85ecc
2 changed files with 42 additions and 2 deletions
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22
arch/Darwin-gnu-arm64.psmp
View file

@ -9,7 +9,7 @@
# Ensure the links in /opt/homebrew/bin to the gcc version
# and "brew unlink openmpi" (or mpich) if installed.
#
# Last update: 25.04.2025
# Last update: 16.06.2025
#
# \
if [[ "${0}" == "${BASH_SOURCE}" ]]; then \
@ -87,6 +87,7 @@ USE_SIRIUS := $(SIRIUS_VER)
USE_SPFFT := $(SPFFT_VER)
USE_SPGLIB := $(SPGLIB_VER)
USE_SPLA := $(SPLA_VER)
USE_TBLITE := $(TBLITE_VER)
USE_TREXIO := $(TREXIO_VER)
LMAX := 5
@ -295,6 +296,25 @@ CFLAGS += -I$(GSL_HOME)/include
DFLAGS += -D__GSL
LIBS += $(GSL_HOME)/lib/libgsl.a
ifneq ($(USE_TBLITE),)
USE_TBLITE := $(strip $(USE_TBLITE))
TBLITE_INC := $(INSTALL_PATH)/tblite-$(USE_TBLITE)/include
TBLITE_LIB := $(INSTALL_PATH)/tblite-$(USE_TBLITE)/lib
CFLAGS += -I$(TBLITE_INC)/toml-f/modules
CFLAGS += -I$(TBLITE_INC)/mctc-lib/modules
CFLAGS += -I$(TBLITE_INC)/s-dftd3/GNU-$(GNU_VER)
CFLAGS += -I$(TBLITE_INC)/dftd4/GNU-$(GNU_VER)
CFLAGS += -I$(TBLITE_INC)/tblite/GNU-$(GNU_VER)
DFLAGS += -D__TBLITE
DFLAGS += -D__DFTD4
LIBS += $(TBLITE_LIB)/libtblite.a
LIBS += $(TBLITE_LIB)/libdftd4.a
LIBS += $(TBLITE_LIB)/libs-dftd3.a
LIBS += $(TBLITE_LIB)/libmulticharge.a
LIBS += $(TBLITE_LIB)/libmctc-lib.a
LIBS += $(TBLITE_LIB)/libtoml-f.a
endif
ifneq ($(USE_OPENBLAS),)
OPENBLAS_HOME := $(shell brew --prefix openblas)
CFLAGS += -I$(OPENBLAS_HOME)/include

22
arch/Darwin-gnu-arm64.ssmp
View file

@ -8,7 +8,7 @@
# Usage: Source this arch file and then run make as instructed.
# Ensure the links in /opt/homebrew/bin to the gcc version.
#
# Last update: 12.02.2025
# Last update: 16.05.2025
#
# \
if [[ "${0}" == "${BASH_SOURCE}" ]]; then \
@ -73,6 +73,7 @@ USE_LIBVORI := $(LIBVORI_VER)
USE_LIBXSMM := $(LIBXSMM_VER)
USE_OPENBLAS := $(OPENBLAS_VER)
USE_SPGLIB := $(SPGLIB_VER)
USE_TBLITE := $(TBLITE_VER)
USE_TREXIO := $(TREXIO_VER)
LMAX := 5
@ -192,6 +193,25 @@ LIBS += $(HDF5_HOME)/lib/libhdf5.a
LIBS += $(shell brew --prefix zlib)/lib/libz.a
LIBS += $(shell brew --prefix libaec)/lib/libsz.a
ifneq ($(USE_TBLITE),)
USE_TBLITE := $(strip $(USE_TBLITE))
TBLITE_INC := $(INSTALL_PATH)/tblite-$(USE_TBLITE)/include
TBLITE_LIB := $(INSTALL_PATH)/tblite-$(USE_TBLITE)/lib
CFLAGS += -I$(TBLITE_INC)/toml-f/modules
CFLAGS += -I$(TBLITE_INC)/mctc-lib/modules
CFLAGS += -I$(TBLITE_INC)/s-dftd3/GNU-$(GNU_VER)
CFLAGS += -I$(TBLITE_INC)/dftd4/GNU-$(GNU_VER)
CFLAGS += -I$(TBLITE_INC)/tblite/GNU-$(GNU_VER)
DFLAGS += -D__TBLITE
DFLAGS += -D__DFTD4
LIBS += $(TBLITE_LIB)/libtblite.a
LIBS += $(TBLITE_LIB)/libdftd4.a
LIBS += $(TBLITE_LIB)/libs-dftd3.a
LIBS += $(TBLITE_LIB)/libmulticharge.a
LIBS += $(TBLITE_LIB)/libmctc-lib.a
LIBS += $(TBLITE_LIB)/libtoml-f.a
endif
ifneq ($(USE_OPENBLAS),)
OPENBLAS_HOME := $(shell brew --prefix openblas)
CFLAGS += -I$(OPENBLAS_HOME)/include