Little changes on the pamm compilation

README.md

@@ -37,6 +37,23 @@ or for development purposes via
 python setup.py develop
 ```
 
+#### In case of errors
+
+If `python setup.py compile` fails (for example if blas and lapack are not installed on your system) you can copy the precompiled static executable `pamm_ubuntu` or `pamm_mac` into the pamm bin directory.
+
+```
+mkdir -p ./gmplabtools/pamm/precompiledPamm/bin
+cp ./gmplabtools/pamm/precompiledPamm/pamm_ubuntu ./gmplabtools/pamm/precompiledPamm/bin/pamm
+```
+or
+```
+mkdir -p ./gmplabtools/pamm/precompiledPamm/bin
+cp ./gmplabtools/pamm/precompiledPamm/pamm_mac ./gmplabtools/pamm/precompiledPamm/bin/pamm
+```
+
+
+And then install gmplabtools with `python setup.py install`.
+
 ### Docker
 
 In order to build docker images following command should be used

gmplabtools/pamm/src/Makefile

@@ -20,23 +20,31 @@
 # SOFTWARE OR THE USE OR OTHER DEALINGS IN THE SOFTWARE.
 
 FF=gfortran
-FFLAGS=-O3 -g -Wall -Wno-maybe-uninitialized -cpp
+DEVELOPFLAGS= -g -Wall -Wno-maybe-uninitialized
+FFLAGS=-O3 -cpp #$(DEVELOPFLAGS)
 LDFLAGS=-llapack -lblas
 MODULES=libpamm.f90 xyz.f90 random.f90
 OBJECTS=$(MODULES:.f90=.o)
 TOOLS=pamm
 
-.PHONY: all clean $(TOOLS)
+.PHONY: all clean cleanall $(TOOLS)
 all: $(TOOLS)
 
 $(TOOLS:%=%.o): $(OBJECTS)
 
 $(TOOLS): % : ../bin/%
+
 $(TOOLS:%=../bin/%): ../bin/%: %.o $(OBJECTS)
-	$(FF) $(FFLAGS) -o $@ $^ $(LDFLAGS)
+	@echo compiling executable $@
+	@mkdir -p ../bin
+	@$(FF) $(FFLAGS) -o $@ $^ $(LDFLAGS)
 
 %.o: %.f90
-	$(FF) $(FFLAGS) -c $<
+	@echo compiling object $@
+	@$(FF) $(FFLAGS) -c $<
 
 clean:
-	rm *.o *.mod
+	@rm -vf *.o *.mod
+
+cleanall: clean
+	@rm -vf ../bin/pamm

setup.py

@@ -84,7 +84,7 @@ def finalize_options(self):
 
     def run(self):
         # clean folder
-        _ = subprocess.run("cd ./gmplabtools/pamm/src && make clean", shell=True)
+        _ = subprocess.run("cd ./gmplabtools/pamm/src && make cleanall", shell=True)
 
         cmd_to_run = "cd ./gmplabtools/pamm/src && make"
         completed_process = subprocess.run(cmd_to_run, universal_newlines=True, shell=True)