e-PE0.dx: e.in e.pqr
	apbs $<

input.xml: input.xml.bak
	cp $< $@

e-s-rxns.xml: e-s-rxns.xml.bak
	cp $< $@

s-atoms.pqrxml: s.pqr
	pqr2xml < $< > $@

e-atoms.pqrxml: e.pqr
	pqr2xml < $< > $@

%.cmi: %.mli
	ocamlopt -c $<

.PRECIOUS: %.cmi

actual_charged_rate: actual_charged_rate.ml romberg.ml
	ocamlopt romberg.ml actual_charged_rate.ml -o $@

actual_charged_rate: romberg.cmi

all: input.xml e-s-rxns.xml e-atoms.pqrxml s-atoms.pqrxml e-PE0.dx actual_charged_rate

clean:
	rm -f *.xml *.pqrxml *.dx io.mc actual_charged_rate *.cmi *.o *.cmx