Fixing minor bugs revealed while writing conda recipe (#5)

This PR contains several minor bugfixes that were revealed in the process of writing a recipe for building `koopmans-kcp` with `conda`:
- removing `!$$` strings from fortran source
- removing the local copy of `lapack`
- bugfix to `make install`

CPV/input.f90

@@ -263,9 +263,7 @@ SUBROUTINE set_control_flags()
                                tbeg_ => tbeg
       USE control_flags, ONLY: ekin_conv_thr_ => ekin_conv_thr, &
                                etot_conv_thr_ => etot_conv_thr, &
-                               !$$
                                esic_conv_thr_ => esic_conv_thr, &
-                               !$$
                                forc_conv_thr_ => forc_conv_thr, &
                                ekin_maxiter_ => ekin_maxiter
       USE control_flags, ONLY: force_pairing_ => force_pairing
@@ -298,9 +296,7 @@ SUBROUTINE set_control_flags()
       USE input_parameters, ONLY: &
          electron_dynamics, electron_damping, electron_temperature, &
          ion_dynamics, ekin_conv_thr, etot_conv_thr, forc_conv_thr, &
-         !$$
          esic_conv_thr, &
-         !$$
          electron_maxstep, ion_damping, ion_temperature, ion_velocities, tranp, &
          amprp, ion_nstepe, cell_nstepe, cell_dynamics, cell_damping, &
          cell_parameters, cell_velocities, cell_temperature, force_pairing, &
@@ -336,9 +332,7 @@ SUBROUTINE set_control_flags()
       tchi2_ = tchi2_inp
       ekin_conv_thr_ = ekin_conv_thr
       etot_conv_thr_ = etot_conv_thr
-!$$
       esic_conv_thr_ = esic_conv_thr
-!$$
       hartree_only_sic_ = hartree_only_sic
       iprint_manifold_overlap_ = iprint_manifold_overlap !added:giovanni spreads and manifold overlap
       iprint_spreads_ = iprint_spreads

Makefile

@@ -57,8 +57,6 @@ distclean veryclean : clean
 		      config.log configure.msg config.status autom4te.cache \
 		      espresso.tar.gz CPV/version.h ChangeLog* \
 		      intel.pcl */intel.pcl
-	- cd examples ; ./make_clean
-	- cd atomic_doc ; ./make_clean
 	- if test -d GUI ; then \
 	( cd GUI ; if test "$(MAKE)" = "" ; then make $(MFLAGS) TLDEPS= veryclean ; \
 		else $(MAKE) $(MFLAGS) TLDEPS= veryclean ; fi ) \
@@ -88,7 +86,7 @@ depend:
 
 install:
 	mkdir -p $(PREFIX)/bin ; \
-	for x in `find -name *.x -type f` ; do \
+	for x in `find . -name *.x -type f` ; do \
 	cp -v $$x $(PREFIX)/bin/ ; done
 	@echo -e '\nkoopmans-kcp binaries are installed in $(PREFIX)/bin\n'
 

Modules/control_flags.f90

@@ -44,11 +44,9 @@ MODULE control_flags
             draw_pot, pot_number,                                            & !added:linh draw vsic potentials   
             iprint_spreads, iprint_manifold_overlap, innerloop_until,        &
             hartree_only_sic           !added:giovanni print spreads and manifold overlaps, and hartree-only sic
-!$$
   PUBLIC :: do_innerloop, do_innerloop_empty, do_innerloop_cg, innerloop_dd_nstep,&
             innerloop_cg_nsd, innerloop_cg_nreset, innerloop_nmax, &
             innerloop_init_n, innerloop_cg_ratio, innerloop_atleast, l_comp_cmplxfctn_index
-!$$
   !
   PUBLIC :: fix_dependencies, check_flags
   PUBLIC :: tksw, evc_restart, trhor, thdyn, iprsta, trhow
@@ -96,10 +94,8 @@ MODULE control_flags
   LOGICAL :: force_pairing = .FALSE. ! Force pairing
   LOGICAL :: tchi2         = .FALSE. ! Compute Chi^2
   LOGICAL :: do_ee         = .FALSE. ! Compute periodi-image correction
-!$$ 
   LOGICAL :: draw_pot      = .FALSE. ! added:linh draw vsic potentials  
   INTEGER :: pot_number    =  1      ! added:linh draw vsic potentials
-!$$
   INTEGER :: iprint_spreads=-1
   INTEGER :: iprint_manifold_overlap=-1
   LOGICAL :: hartree_only_sic=.false.
@@ -117,7 +113,6 @@ MODULE control_flags
   INTEGER :: innerloop_init_n = 10000 ! Innerloop iterations with fixed threshold
   INTEGER :: innerloop_atleast = 0 ! Minimum number of innerloop iterations performed
   REAL(DP) :: innerloop_cg_ratio = 1.d-3 ! Innerloop ratio between the CG outerloop step and the innerloop threshold
-!$$
   !
   TYPE (convergence_criteria) :: tconvthrs
                               !  thresholds used to check GS convergence
@@ -198,9 +193,7 @@ MODULE control_flags
   REAL(DP), PUBLIC :: &
        ekin_conv_thr = 0.0_DP, &!  conv. threshold for fictitious e. kinetic energy
        etot_conv_thr = 0.0_DP, &!  conv. threshold for DFT energy
-!$$
        esic_conv_thr = 0.0_DP, &!  conv. threshold for SIC energy
-!$$
        forc_conv_thr = 0.0_DP   !  conv. threshold for atomic forces
   INTEGER, PUBLIC :: &
        ekin_maxiter = 100,   &!  max number of iter. for ekin convergence

flib/Makefile

@@ -40,26 +40,12 @@ gridsetup.o \
 localdim.o \
 localindex.o
 
-all: blas.a flib.a lapack_atlas.a lapack.a ptools.a
+all: flib.a ptools.a
 
 flib.a : $(OBJS)
 	$(AR) $(ARFLAGS) $@ $?
 	$(RANLIB) $@
 
-blas.a : blas.o
-	$(AR) $(ARFLAGS) $@ $?
-	$(RANLIB) $@ 
-
-lapack_atlas.a : lapack_atlas.o dlamch.o
-	$(AR) $(ARFLAGS) $@ $?
-	$(RANLIB) $@ 
-
-lapack.a : lapack_atlas.o lapack_all.o dlamch.o
-	$(AR) $(ARFLAGS) $@ $?
-
-dlamch.o : dlamch.f
-	$(F77) $(FFLAGS_NOOPT) -c $<
-
 ptools.a : $(POBJS)
 	$(AR) $(ARFLAGS) $@ $?
 	$(RANLIB) $@