mirror of
https://github.com/QuantumPackage/qp2.git
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Merge branch 'master' into dev-stable
This commit is contained in:
commit
fc24491dbc
2
configure
vendored
2
configure
vendored
@ -232,7 +232,7 @@ EOF
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execute << EOF
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execute << EOF
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cd "\${QP_ROOT}"/external
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cd "\${QP_ROOT}"/external
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tar --gunzip --extract --file qp2-dependencies/f77-zmq-4.3.2.tar.gz
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tar --gunzip --extract --file qp2-dependencies/f77-zmq-4.3.?.tar.gz
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cd f77-zmq-*
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cd f77-zmq-*
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./configure --prefix=\$QP_ROOT
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./configure --prefix=\$QP_ROOT
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export ZMQ_H="\$QP_ROOT"/include/zmq.h
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export ZMQ_H="\$QP_ROOT"/include/zmq.h
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2
external/qp2-dependencies
vendored
2
external/qp2-dependencies
vendored
@ -1 +1 @@
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Subproject commit 6e23ebac001acae91d1c762ca934e09a9b7d614a
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Subproject commit e0d0e02e9f5ece138d1520106954a881ab0b8db2
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@ -43,8 +43,8 @@ def extract_data(output):
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e_ex_line = lines[iline+2]
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e_ex_line = lines[iline+2]
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e_ex = float(e_ex_line.split()[1])
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e_ex = float(e_ex_line.split()[1])
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reading = False
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reading = False
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new_data = " {:8d} {:16.8f} {:e} {:e} {:e} {:e} {:16.8f}".format(n_det, e, pt2, err_pt2, rpt2, err_rpt2, e_ex)
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data.append((n_det, e, pt2, err_pt2, rpt2, err_rpt2, e_ex))
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data.append(new_data)
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n_det = e = pt2 = err_pt2 = rpt2 = err_rpt2 = e_ex = None
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n_det = e = pt2 = err_pt2 = rpt2 = err_rpt2 = e_ex = None
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return data
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return data
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@ -52,6 +52,4 @@ def extract_data(output):
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data = extract_data(output)
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data = extract_data(output)
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for item in data:
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for item in data:
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print(" ".join(str(x) for x in item))
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print(item)
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@ -14,7 +14,7 @@ subroutine format_w_error(value,error,size_nb,max_nb_digits,format_value,str_err
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! out
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! out
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! | format_value | character | string FX.Y for the format |
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! | format_value | character | string FX.Y for the format |
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! | str_error | character | string of the error |
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! | str_error | character | string of the error |
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! internal
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! internal
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! | str_size | character | size in string format |
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! | str_size | character | size in string format |
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@ -33,6 +33,7 @@ subroutine format_w_error(value,error,size_nb,max_nb_digits,format_value,str_err
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character(len=20) :: str_size, str_nb_digits, str_exp
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character(len=20) :: str_size, str_nb_digits, str_exp
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integer :: nb_digits
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integer :: nb_digits
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!$OMP CRITICAL
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! max_nb_digit: Y max
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! max_nb_digit: Y max
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! size_nb = Size of the double: X (FX.Y)
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! size_nb = Size of the double: X (FX.Y)
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write(str_size,'(I3)') size_nb
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write(str_size,'(I3)') size_nb
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@ -67,5 +68,6 @@ subroutine format_w_error(value,error,size_nb,max_nb_digits,format_value,str_err
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! FX.Y just for the value
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! FX.Y just for the value
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format_value = 'F'//trim(adjustl(str_size))//'.'//trim(adjustl(str_nb_digits))
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format_value = 'F'//trim(adjustl(str_size))//'.'//trim(adjustl(str_nb_digits))
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!$OMP END CRITICAL
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end
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end
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