Fix include

scripts/compilation/create_ninja_build.py

@@ -245,7 +245,10 @@ def ninja_ezfio_build(l_ezfio_config, l_util):
 
     str_ = " ".join(l_ezfio_config + l_ezfio_from_cfg)
 
-    l_string = ["build {0}: build_ezfio {1}".format(EZFIO_LIB, str_), ""]
+    ezfio_make_config = join(QPACKAGE_ROOT_EZFIO,"make.config")
+    l_string = ["build {0} {1}: build_ezfio {2}".format(EZFIO_LIB,
+                                                        ezfio_make_config,
+                                                        str_), ""]
 
     return l_string
 
@@ -670,5 +673,5 @@ if __name__ == "__main__":
                                          d_binaries_production)
         l_string += ninja_readme_build(module_to_compile)
 
-    with open(join(QPACKAGE_ROOT, "build.ninja"), "w+") as f:
-        f.write("\n".join(l_string))
+     with open(join(QPACKAGE_ROOT, "build.ninja"), "w+") as f:
+         f.write("\n".join(l_string))

src/AOs/NEEDED_CHILDREN_MODULES

@@ -1 +1 @@
-Nuclei Utils
+Nuclei

src/DensityFit/overlap.irp.f

@@ -8,7 +8,7 @@ double precision function aux_basis_four_overlap(i,j,k,l)
   double precision               :: I_center(3),J_center(3),K_center(3),L_center(3)
   integer                        :: num_i,num_j,num_k,num_l,dim1,I_power(3),J_power(3),K_power(3),L_power(3)
   double precision               :: overlap_x,overlap_y,overlap_z, overlap
-  include 'include/constants.F'
+  include 'Utils/constants.F'
   double precision               :: P_new(0:max_dim,3),P_center(3),fact_p,pp
   double precision               :: Q_new(0:max_dim,3),Q_center(3),fact_q,qq
   integer                        :: iorder_p(3), iorder_q(3)

src/FCIdump/README.rst

@@ -10,6 +10,9 @@ Documentation
 .. Do not edit this section. It was auto-generated from the
 .. NEEDED_MODULES_CHILDREN file by the `update_README.py` script.
 
+`fcidump <http://github.com/LCPQ/quantum_package/tree/master/src/FCIdump/fcidump.irp.f#L1>`_
+  Undocumented
+
 
 
 Needed Modules

src/Integrals_Bielec/NEEDED_CHILDREN_MODULES

@@ -1 +1 @@
-Pseudo MOs Bitmask
+Pseudo Bitmask

src/QmcChem/README.rst

@@ -6,7 +6,7 @@ Documentation
 =============
 
 .. Do not edit this section. It was auto-generated from the
-.. NEEDED_MODULES file.
+.. NEEDED_MODULES_CHILDREN file by the `update_README.py` script.
 
 `ao_pseudo_grid <http://github.com/LCPQ/quantum_package/tree/master/src/QmcChem/pot_ao_pseudo_ints.irp.f#L225>`_
   Grid points for f(|r-r_A|) = \int Y_{lm}^{C} (|r-r_C|, \Omega_C) \chi_i^{A} (r-r_A) d\Omega_C
@@ -47,9 +47,9 @@ Needed Modules
 ==============
 
 .. Do not edit this section. It was auto-generated from the
-.. NEEDED_MODULES file.
+.. NEEDED_MODULES_CHILDREN file by the `update_README.py` script.
 
-.. image:: tree_dependancy.png
+.. image:: tree_dependency.png
 
 * `Determinants <http://github.com/LCPQ/quantum_package/tree/master/src/Determinants>`_
 * `DensityFit <http://github.com/LCPQ/quantum_package/tree/master/src/DensityFit>`_

src/Utils/integration.irp.f

@@ -6,7 +6,7 @@ subroutine give_explicit_poly_and_gaussian_x(P_new,P_center,p,fact_k,iorder,alph
   !        fact_k  (x-x_P)^iorder(1)  (y-y_P)^iorder(2)  (z-z_P)^iorder(3) exp(-p(r-P)^2)
   END_DOC
   implicit none
-  include 'include/constants.F'
+  include 'constants.F'
   integer, intent(in)            :: dim
   integer, intent(in)            :: a,b               ! powers : (x-xa)**a_x = (x-A(1))**a(1)
   double precision, intent(in)   :: alpha, beta       ! exponents
@@ -53,7 +53,7 @@ subroutine give_explicit_poly_and_gaussian(P_new,P_center,p,fact_k,iorder,alpha,
   !               * [ sum (l_z = 0,i_order(3)) P_new(l_z,3) * (z-P_center(3))^l_z ] exp (- p (z-P_center(3))^2 )
   END_DOC
   implicit none
-  include 'include/constants.F'
+  include 'constants.F'
   integer, intent(in)            :: dim
   integer, intent(in)            :: a(3),b(3)         ! powers : (x-xa)**a_x = (x-A(1))**a(1)
   double precision, intent(in)   :: alpha, beta       ! exponents
@@ -131,7 +131,7 @@ subroutine give_explicit_poly_and_gaussian_double(P_new,P_center,p,fact_k,iorder
   !               * [ sum (l_z = 0,i_order(3)) P_new(l_z,3) * (z-P_center(3))^l_z ] exp (- p (z-P_center(3))^2 )
   END_DOC
   implicit none
-  include 'include/constants.F'
+  include 'constants.F'
   integer, intent(in)            :: dim
   integer, intent(in)            :: a(3),b(3)         ! powers : (x-xa)**a_x = (x-A(1))**a(1)
   double precision, intent(in)   :: alpha, beta, gama ! exponents

src/Utils/need.irp.f

@@ -46,7 +46,7 @@
 
       double precision function rinteg(n,u)
       implicit double precision(a-h,o-z)
-      include '../include/constants.F'
+      include 'constants.F'
 !     pi=dacos(-1.d0)
       ichange=1
       factor=1.d0

src/Utils/one_e_integration.irp.f

@@ -34,7 +34,7 @@ end
 
 subroutine overlap_A_B_C(dim,alpha,beta,gama,a,b,A_center,B_center,Nucl_center,overlap)
  implicit none
-  include 'include/constants.F'
+  include 'constants.F'
  integer, intent(in)            :: dim                                                             
  integer, intent(in)            :: a(3),b(3)         ! powers : (x-xa)**a_x = (x-A(1))**a(1)
  double precision, intent(in)   :: alpha, beta, gama ! exponents