Patch for already installed blas version
While building the conda package, I linked mlip to the blas version from conda-forge, rather than compiling it on my own. So here is the required patch:
From 4d12a649a158d4948890de9b72b969c65ce1c690 Mon Sep 17 00:00:00 2001
From: Jan Janssen <jan-janssen@users.noreply.github.com>
Date: Sat, 6 Feb 2021 19:45:15 +0100
Subject: [PATCH] Update Makefile
---
make/Makefile | 12 +++++-------
1 file changed, 5 insertions(+), 7 deletions(-)
diff --git a/make/Makefile b/make/Makefile
index 56da73b..dfe26f5 100644
--- a/make/Makefile
+++ b/make/Makefile
@@ -19,9 +19,9 @@ SRCLMP = $(SRCPATH)external/MLIP4LAMMPS/lammps_interface.cpp
HEADERSMLP = $(wildcard $(SRCPATH)*.h) $(wildcard $(SRCPATH)common/*.h) $(wildcard $(SRCPATH)drivers/*.h)
HEADERSUTL = $(wildcard $(SRCPATH)utils/*.h)
-INCDIR = ../blas/include
+INCDIR = $(PREFIX)/include
INCLIB = ../blas/lib/libopenblas.a
-BLAS_LIBPATH = ../blas/lib
+BLAS_LIBPATH = $(PREFIX)/lib
BLAS_SLIB = -lopenblas
BLAS_OBJPATH = ../lib/blas_obj/
@@ -40,10 +40,10 @@ BIN = $(BINPATH)mlp
CC = mpicxx
CC_SRL = g++
-CFLAGS = -O2 -std=c++11
+# CFLAGS = -O2 -std=c++11
LINK = mpicxx
LINK_SRL = g++
-LINKFLAGS = -o
+LINKFLAGS = $(LDFLAGS) -o
ARCHIVE = ar
ARCHFLAG1 = -x
ARCHFLAG2 = -rvs
@@ -61,8 +61,7 @@ lib: $(OBJCMN_SRL) $(OBJLMP)
rm -f $(OBJCMN_SRL) $(OBJLMP)
mlp: $(OBJCMN) $(OBJBIN)
- (cd ../blas/OpenBLAS/ && make && make install)
- $(LINK) $^ $(LINKFLAGS) $(BIN) -L$(BLAS_LIBPATH) -lopenblas
+ $(LINK) $^ $(LINKFLAGS) $(BIN) -L$(BLAS_LIBPATH) -lcblas
mlp_srl: $(OBJCMN_SRL) $(OBJBIN_SRL)
(cd ../blas/OpenBLAS/ && make && make install)
@@ -87,4 +86,3 @@ $(OBJBIN_SRL): ADDCFLAG := -I$(INCDIR) # -DMLIP_DEBUG
clean:
rm -f $(OBJCMN) $(OBJCMN_SRL) $(OBJBIN) $(OBJBIN_SRL) $(BIN) $(OBJLMP) $(SRCPATH)external/MLIP4USPEX/relax_mpi.o \
$(SRCPATH)utils/*.o $(LIB) $(SRCPATH)*~
-