Merge branch 'master' into dev-stable

configure

@@ -232,7 +232,7 @@ EOF
 
             execute << EOF
               cd "\${QP_ROOT}"/external
-              tar --gunzip --extract --file qp2-dependencies/f77-zmq-4.3.2.tar.gz
+              tar --gunzip --extract --file qp2-dependencies/f77-zmq-4.3.?.tar.gz
               cd f77-zmq-*
               ./configure --prefix=\$QP_ROOT
               export ZMQ_H="\$QP_ROOT"/include/zmq.h

external/qp2-dependencies

@@ -1 +1 @@
-Subproject commit 6e23ebac001acae91d1c762ca934e09a9b7d614a
+Subproject commit e0d0e02e9f5ece138d1520106954a881ab0b8db2

scripts/qp_extract_cipsi_data.py

@@ -43,8 +43,8 @@ def extract_data(output):
                 e_ex_line = lines[iline+2]
                 e_ex = float(e_ex_line.split()[1])
                 reading = False
-
-                data.append((n_det, e, pt2, err_pt2, rpt2, err_rpt2, e_ex))
+                new_data = " {:8d}  {:16.8f}  {:e}  {:e}  {:e}  {:e}  {:16.8f}".format(n_det, e, pt2, err_pt2, rpt2, err_rpt2, e_ex)
+                data.append(new_data)
                 n_det = e = pt2 = err_pt2 = rpt2 = err_rpt2 = e_ex = None
 
     return data
@@ -52,6 +52,4 @@ def extract_data(output):
 data = extract_data(output)
 
 for item in data:
-    print(" ".join(str(x) for x in item))
-
-
+    print(item)

src/utils/format_w_error.irp.f

@@ -1,7 +1,7 @@
 subroutine format_w_error(value,error,size_nb,max_nb_digits,format_value,str_error)
 
   implicit none
- 
+
   BEGIN_DOC
   ! Format for double precision, value(error)
   END_DOC
@@ -14,7 +14,7 @@ subroutine format_w_error(value,error,size_nb,max_nb_digits,format_value,str_err
 
   ! out
   ! | format_value  | character | string FX.Y for the format |
-  ! | str_error     | character | string of the error |
+  ! | str_error     | character | string of the error        |
 
   ! internal
   ! | str_size      | character | size in string format                             |
@@ -33,6 +33,7 @@ subroutine format_w_error(value,error,size_nb,max_nb_digits,format_value,str_err
   character(len=20)              :: str_size, str_nb_digits, str_exp
   integer                        :: nb_digits
 
+  !$OMP CRITICAL
   ! max_nb_digit: Y max
   ! size_nb = Size of the double: X (FX.Y)
   write(str_size,'(I3)') size_nb
@@ -40,17 +41,17 @@ subroutine format_w_error(value,error,size_nb,max_nb_digits,format_value,str_err
   ! Error
   write(str_exp,'(1pE20.0)') error
   str_error = trim(adjustl(str_exp))
-  
+
   ! Number of digit: Y (FX.Y) from the exponent
   str_nb_digits = str_exp(19:20)
   read(str_nb_digits,*) nb_digits
- 
+
   ! If the error is 0d0
-  if (error <= 1d-16) then 
+  if (error <= 1d-16) then
     write(str_nb_digits,*) max_nb_digits
   endif
 
-  ! If the error is too small 
+  ! If the error is too small
   if (nb_digits > max_nb_digits) then
       write(str_nb_digits,*) max_nb_digits
       str_error(1:1) = '0'
@@ -65,7 +66,8 @@ subroutine format_w_error(value,error,size_nb,max_nb_digits,format_value,str_err
   ! FX.Y,A1,A1,A1 for value(str_error)
   !string = 'F'//trim(adjustl(str_size))//'.'//trim(adjustl(str_nb_digits))//',A1,A1,A1'
 
-  ! FX.Y just for the value 
+  ! FX.Y just for the value
   format_value = 'F'//trim(adjustl(str_size))//'.'//trim(adjustl(str_nb_digits))
+  !$OMP END CRITICAL
 
 end