Remove f77_blas_poison

svn-origin-rev: 14698
vagabond92 · Nov 18, 2014 · 79e535f · 79e535f
1 parent 7299fba
commit 79e535f
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diff --git a/src/admm_dm_types.F b/src/admm_dm_types.F
@@ -13,7 +13,6 @@ MODULE admm_dm_types
   USE cp_control_types,                ONLY: admm_control_type
   USE cp_dbcsr_interface,              ONLY: cp_dbcsr_release,&
                                              cp_dbcsr_type
-  USE f77_blas
   USE input_constants,                 ONLY: do_admm_basis_projection,&
                                              do_admm_purify_mcweeny
   USE kinds,                           ONLY: dp

diff --git a/src/admm_types.F b/src/admm_types.F
@@ -21,7 +21,6 @@ MODULE admm_types
                                              cp_fm_release,&
                                              cp_fm_type
   USE cp_para_types,                   ONLY: cp_para_env_type
-  USE f77_blas
   USE input_constants,                 ONLY: do_admm_basis_projection,&
                                              do_admm_blocked_projection
   USE input_section_types,             ONLY: section_vals_release,&

diff --git a/src/al_system_types.F b/src/al_system_types.F
@@ -13,7 +13,6 @@ MODULE al_system_types
   USE extended_system_types,           ONLY: create_map_info_type,&
                                              map_info_type,&
                                              release_map_info_type
-  USE f77_blas
   USE input_section_types,             ONLY: section_vals_type,&
                                              section_vals_val_get
   USE kinds,                           ONLY: dp

diff --git a/src/almo_scf_methods.F b/src/almo_scf_methods.F
@@ -36,7 +36,6 @@ MODULE almo_scf_methods
                                              domain_submatrix_type,&
                                              select_row,&
                                              select_row_col
-  USE f77_blas
   USE input_constants,                 ONLY: almo_domain_layout_molecular,&
                                              almo_mat_distr_atomic,&
                                              almo_scf_diag

diff --git a/src/aobasis/ai_angmom.F b/src/aobasis/ai_angmom.F
@@ -30,7 +30,6 @@ MODULE ai_angmom
 
   USE ai_derivatives,                  ONLY: dabdr
   USE ai_moments,                      ONLY: moment
-  USE f77_blas
   USE kinds,                           ONLY: dp
   USE mathconstants,                   ONLY: pi
   USE orbital_pointers,                ONLY: coset,&

diff --git a/src/aobasis/ai_coulomb.F b/src/aobasis/ai_coulomb.F
@@ -37,7 +37,7 @@
 !> \author Matthias Krack (22.08.2000)
 ! *****************************************************************************
 MODULE ai_coulomb
-  USE f77_blas
+
   USE gamma,                           ONLY: fgamma=>fgamma_0
   USE kinds,                           ONLY: dp
   USE mathconstants,                   ONLY: pi

diff --git a/src/aobasis/ai_derivatives.F b/src/aobasis/ai_derivatives.F
@@ -30,7 +30,7 @@
 !>      - zetp      : Reciprocal of the sum of the exponents of orbital a and b.
 ! *****************************************************************************
 MODULE ai_derivatives
-  USE f77_blas
+
   USE kinds,                           ONLY: dp
   USE orbital_pointers,                ONLY: coset,&
                                              ncoset

diff --git a/src/aobasis/ai_elec_field.F b/src/aobasis/ai_elec_field.F
@@ -35,7 +35,6 @@
 ! *****************************************************************************
 MODULE ai_elec_field
   USE ai_os_rr,                        ONLY: os_rr_coul
-  USE f77_blas
   USE kinds,                           ONLY: dp
   USE mathconstants,                   ONLY: pi
   USE orbital_pointers,                ONLY: coset,&

diff --git a/src/aobasis/ai_eri_debug.F b/src/aobasis/ai_eri_debug.F
@@ -13,7 +13,7 @@
 !> \author J. Hutter (07.2009)
 ! *****************************************************************************
 MODULE ai_eri_debug
-  USE f77_blas
+
   USE gamma,                           ONLY: fgamma_ref
   USE kinds,                           ONLY: dp
   USE mathconstants,                   ONLY: pi

diff --git a/src/aobasis/ai_fermi_contact.F b/src/aobasis/ai_fermi_contact.F
@@ -25,7 +25,7 @@
 !> \author Matthias Krack (08.10.1999)
 ! *****************************************************************************
 MODULE ai_fermi_contact
-  USE f77_blas
+
   USE kinds,                           ONLY: dp
   USE mathconstants,                   ONLY: pi
   USE orbital_pointers,                ONLY: coset,&

diff --git a/src/aobasis/ai_geminals.F b/src/aobasis/ai_geminals.F
@@ -15,7 +15,6 @@
 MODULE ai_geminals
   USE ai_geminals_utils,               ONLY: acoff,&
                                              matv
-  USE f77_blas
   USE gamma,                           ONLY: fgamma=>fgamma_1
   USE kinds,                           ONLY: dp
   USE mathconstants,                   ONLY: pi

diff --git a/src/aobasis/ai_geminals_debug.F b/src/aobasis/ai_geminals_debug.F
@@ -16,7 +16,6 @@
 MODULE ai_geminals_debug
   USE ai_geminals_utils,               ONLY: acoff,&
                                              matv
-  USE f77_blas
   USE gamma,                           ONLY: fgamma_ref
   USE kinds,                           ONLY: dp
   USE mathconstants,                   ONLY: pi

diff --git a/src/aobasis/ai_geminals_utils.F b/src/aobasis/ai_geminals_utils.F
@@ -14,7 +14,7 @@
 !> \author Juerg Hutter (07.2009)
 ! *****************************************************************************
 MODULE ai_geminals_utils
-  USE f77_blas
+
   USE kinds,                           ONLY: dp
   USE mathconstants,                   ONLY: fac
 #include "../common/cp_common_uses.f90"

diff --git a/src/aobasis/ai_kinetic.F b/src/aobasis/ai_kinetic.F
@@ -17,7 +17,6 @@
 ! *****************************************************************************
 MODULE ai_kinetic
   USE ai_os_rr,                        ONLY: os_rr_ovlp
-  USE f77_blas
   USE kinds,                           ONLY: dp
   USE mathconstants,                   ONLY: pi
   USE orbital_pointers,                ONLY: coset,&

diff --git a/src/aobasis/ai_onecenter.F b/src/aobasis/ai_onecenter.F
@@ -26,7 +26,6 @@
 MODULE ai_onecenter
 
   USE erf_fn,                          ONLY: erf
-  USE f77_blas
   USE kinds,                           ONLY: dp
   USE mathconstants,                   ONLY: dfac,&
                                              fac,&

diff --git a/src/aobasis/ai_oneelectron.F b/src/aobasis/ai_oneelectron.F
@@ -30,7 +30,7 @@
 !> \author jhu (05.2011)
 ! *****************************************************************************
 MODULE ai_oneelectron
-  USE f77_blas
+
   USE kinds,                           ONLY: dp
   USE orbital_pointers,                ONLY: coset,&
                                              ncoset

diff --git a/src/aobasis/ai_os_rr.F b/src/aobasis/ai_os_rr.F
@@ -4,7 +4,7 @@
 !-----------------------------------------------------------------------------!
 
 MODULE ai_os_rr
-  USE f77_blas
+
   USE gamma,                           ONLY: fgamma=>fgamma_0
   USE kinds,                           ONLY: dp
   USE orbital_pointers,                ONLY: coset

diff --git a/src/aobasis/ai_overlap.F b/src/aobasis/ai_overlap.F
@@ -15,7 +15,6 @@
 ! *****************************************************************************
 MODULE ai_overlap
   USE ai_os_rr,                        ONLY: os_rr_ovlp
-  USE f77_blas
   USE kinds,                           ONLY: dp
   USE mathconstants,                   ONLY: pi
   USE orbital_pointers,                ONLY: coset,&

diff --git a/src/aobasis/ai_overlap3.F b/src/aobasis/ai_overlap3.F
@@ -42,7 +42,7 @@ MODULE ai_overlap3
 
 ! *****************************************************************************
 
-  USE f77_blas
+
   USE kinds,                           ONLY: dp
   USE mathconstants,                   ONLY: pi
   USE orbital_pointers,                ONLY: coset,&

diff --git a/src/aobasis/ai_overlap3_debug.F b/src/aobasis/ai_overlap3_debug.F
@@ -12,7 +12,7 @@
 !> \author Dorothea Golze
 ! *****************************************************************************
 MODULE ai_overlap3_debug
-  USE f77_blas
+
   USE kinds,                           ONLY: dp
   USE mathconstants,                   ONLY: pi
 #include "../common/cp_common_uses.f90"

diff --git a/src/aobasis/ai_overlap_aabb.F b/src/aobasis/ai_overlap_aabb.F
@@ -23,7 +23,7 @@
 !>      - zetp      : Reciprocal of the sum of the exponents of orbital a and b.
 ! *****************************************************************************
 MODULE ai_overlap_aabb
-  USE f77_blas
+
   USE kinds,                           ONLY: dp
   USE mathconstants,                   ONLY: pi
   USE orbital_pointers,                ONLY: coset,&

diff --git a/src/aobasis/ai_overlap_debug.F b/src/aobasis/ai_overlap_debug.F
@@ -12,7 +12,7 @@
 !> \author Dorothea Golze
 ! *****************************************************************************
 MODULE ai_overlap_debug
-  USE f77_blas
+
   USE kinds,                           ONLY: dp
   USE mathconstants,                   ONLY: pi
 #include "../common/cp_common_uses.f90"

diff --git a/src/aobasis/ai_overlap_ppl.F b/src/aobasis/ai_overlap_ppl.F
@@ -24,7 +24,6 @@
 ! *****************************************************************************
 MODULE ai_overlap_ppl
   USE ai_oneelectron,                  ONLY: os_3center
-  USE f77_blas
   USE kinds,                           ONLY: dp
   USE mathconstants,                   ONLY: fac,&
                                              pi

diff --git a/src/aobasis/ai_spin_orbit.F b/src/aobasis/ai_spin_orbit.F
@@ -34,7 +34,6 @@
 ! *****************************************************************************
 MODULE ai_spin_orbit
   USE ai_os_rr,                        ONLY: os_rr_coul
-  USE f77_blas
   USE kinds,                           ONLY: dp
   USE mathconstants,                   ONLY: pi
   USE orbital_pointers,                ONLY: coset,&

diff --git a/src/aobasis/ai_verfc.F b/src/aobasis/ai_verfc.F
@@ -79,7 +79,7 @@
 
 
 MODULE ai_verfc
-  USE f77_blas
+
   USE gamma,                           ONLY: fgamma=>fgamma_0
   USE kinds,                           ONLY: dp
   USE mathconstants,                   ONLY: pi

diff --git a/src/aobasis/ao_util.F b/src/aobasis/ao_util.F
@@ -11,7 +11,7 @@
 ! *****************************************************************************
 MODULE ao_util
 
-  USE f77_blas
+
   USE kinds,                           ONLY: dp,&
                                              dp_size
   USE mathconstants,                   ONLY: &

diff --git a/src/aobasis/orbital_pointers.F b/src/aobasis/orbital_pointers.F
@@ -23,7 +23,7 @@ MODULE orbital_pointers
 ! nsoset: Number of spherical orbitals up to the angular momentum quantum
 !         number l.
 
-  USE f77_blas
+
   USE kinds,                           ONLY: int_size
   USE termination,                     ONLY: stop_memory,&
                                              stop_program

diff --git a/src/aobasis/orbital_symbols.F b/src/aobasis/orbital_symbols.F
@@ -10,7 +10,7 @@
 !> \author Matthias Krack (08.06.2000)
 ! *****************************************************************************
 MODULE orbital_symbols
-  USE f77_blas
+
 ! Index:
 ! FUNCTION cgf_symbol(n,lxyz) RESULT(symbol)
 ! FUNCTION sgf_symbol(n,l,m) RESULT(symbol)

diff --git a/src/aobasis/orbital_transformation_matrices.F b/src/aobasis/orbital_transformation_matrices.F
@@ -14,7 +14,7 @@
 ! *****************************************************************************
 MODULE orbital_transformation_matrices
 
-  USE f77_blas
+
   USE kinds,                           ONLY: dp,&
                                              dp_size,&
                                              int_size

diff --git a/src/aobasis/sto_ng.F b/src/aobasis/sto_ng.F
@@ -9,7 +9,7 @@
 !> \author jgh
 ! *****************************************************************************
 MODULE sto_ng
-  USE f77_blas
+
   USE kinds,                           ONLY: dp
 #include "../common/cp_common_uses.f90"
 

diff --git a/src/atom.F b/src/atom.F
@@ -10,7 +10,6 @@ MODULE atom
   USE atom_pseudo,                     ONLY: atom_pseudo_opt
   USE cp_output_handling,              ONLY: cp_print_key_finished_output,&
                                              cp_print_key_unit_nr
-  USE f77_blas
   USE header,                          ONLY: atom_footer,&
                                              atom_header
   USE input_constants,                 ONLY: atom_basis_run,&

diff --git a/src/atom_basis.F b/src/atom_basis.F
@@ -22,7 +22,6 @@ MODULE atom_basis
                                              get_maxn_occ
   USE cp_output_handling,              ONLY: cp_print_key_finished_output,&
                                              cp_print_key_unit_nr
-  USE f77_blas
   USE input_constants,                 ONLY: do_analytic
   USE input_section_types,             ONLY: section_vals_get,&
                                              section_vals_get_subs_vals,&

diff --git a/src/atom_electronic_structure.F b/src/atom_electronic_structure.F
@@ -28,7 +28,6 @@ MODULE atom_electronic_structure
                                              calculate_atom_vxc_lda,&
                                              calculate_atom_vxc_lsd,&
                                              calculate_atom_zmp
-  USE f77_blas
   USE input_constants,                 ONLY: &
        do_analytic, do_dkh0_atom, do_dkh1_atom, do_dkh2_atom, do_dkh3_atom, &
        do_dkh4_atom, do_dkh5_atom, do_nonrel_atom, do_numeric, do_rhf_atom, &

diff --git a/src/atom_energy.F b/src/atom_energy.F
@@ -38,7 +38,6 @@ MODULE atom_energy
                                              calculate_atom_zmp
   USE cp_output_handling,              ONLY: cp_print_key_finished_output,&
                                              cp_print_key_unit_nr
-  USE f77_blas
   USE input_constants,                 ONLY: do_analytic
   USE input_section_types,             ONLY: section_vals_get,&
                                              section_vals_get_subs_vals,&

diff --git a/src/atom_fit.F b/src/atom_fit.F
@@ -27,7 +27,6 @@ MODULE atom_fit
        get_maxn_occ, integrate_grid
   USE cp_files,                        ONLY: close_file,&
                                              open_file
-  USE f77_blas
   USE input_constants,                 ONLY: do_analytic
   USE input_section_types,             ONLY: section_vals_type,&
                                              section_vals_val_get

diff --git a/src/atom_operators.F b/src/atom_operators.F
@@ -26,7 +26,6 @@ MODULE atom_operators
                                              wigner_slater_functional
   USE dkh_main,                        ONLY: dkh_atom_transformation
   USE erf_fn,                          ONLY: erfc
-  USE f77_blas
   USE input_constants,                 ONLY: &
        do_dkh0_atom, do_dkh1_atom, do_dkh2_atom, do_dkh3_atom, do_dkh4_atom, &
        do_dkh5_atom, do_nonrel_atom, do_sczoramp_atom, do_zoramp_atom

diff --git a/src/atom_optimization.F b/src/atom_optimization.F
@@ -8,7 +8,6 @@
 ! *****************************************************************************
 MODULE atom_optimization
   USE atom_types,                      ONLY: atom_optimization_type
-  USE f77_blas
   USE kinds,                           ONLY: dp
   USE lapack,                          ONLY: lapack_sgelss
 #include "./common/cp_common_uses.f90"

diff --git a/src/atom_output.F b/src/atom_output.F
@@ -16,7 +16,6 @@ MODULE atom_output
                                              get_maxn_occ
   USE cp_files,                        ONLY: close_file,&
                                              open_file
-  USE f77_blas
   USE input_constants,                 ONLY: &
        do_dkh0_atom, do_dkh1_atom, do_dkh2_atom, do_dkh3_atom, do_dkh4_atom, &
        do_dkh5_atom, do_nonrel_atom, do_rhf_atom, do_rks_atom, do_rohf_atom, &

diff --git a/src/atom_pseudo.F b/src/atom_pseudo.F
@@ -29,7 +29,6 @@ MODULE atom_pseudo
                                              get_maxn_occ
   USE cp_output_handling,              ONLY: cp_print_key_finished_output,&
                                              cp_print_key_unit_nr
-  USE f77_blas
   USE input_constants,                 ONLY: do_analytic
   USE input_section_types,             ONLY: section_vals_get,&
                                              section_vals_get_subs_vals,&

diff --git a/src/atom_types.F b/src/atom_types.F
@@ -20,7 +20,6 @@ MODULE atom_types
   USE cp_parser_types,                 ONLY: cp_parser_type,&
                                              parser_create,&
                                              parser_release
-  USE f77_blas
   USE input_constants,                 ONLY: contracted_gto,&
                                              gaussian,&
                                              geometrical_gto,&

diff --git a/src/atom_utils.F b/src/atom_utils.F
@@ -23,7 +23,6 @@ MODULE atom_utils
                                              get_unit_number,&
                                              open_file
   USE erf_fn,                          ONLY: erf
-  USE f77_blas
   USE input_constants,                 ONLY: do_rhf_atom,&
                                              do_rks_atom,&
                                              do_rohf_atom,&

diff --git a/src/atomic_charges.F b/src/atomic_charges.F
@@ -11,7 +11,6 @@
 ! *****************************************************************************
 MODULE atomic_charges
   USE atomic_kind_types,               ONLY: get_atomic_kind
-  USE f77_blas
   USE kinds,                           ONLY: dp
   USE particle_types,                  ONLY: particle_type
   USE qs_kind_types,                   ONLY: get_qs_kind,&

diff --git a/src/atoms_input.F b/src/atoms_input.F
@@ -25,7 +25,6 @@ MODULE atoms_input
                                              cp_sll_val_type
   USE cp_parser_methods,               ONLY: read_float_object
   USE cp_units,                        ONLY: cp_unit_to_cp2k
-  USE f77_blas
   USE input_section_types,             ONLY: section_vals_get,&
                                              section_vals_get_subs_vals,&
                                              section_vals_list_get,&

diff --git a/src/beta_gamma_psi.F b/src/beta_gamma_psi.F
@@ -6,7 +6,7 @@
 ! *****************************************************************************
 MODULE beta_gamma_psi
  ! not tested in the case where dp would stand for single precision
-  USE f77_blas
+
   USE kinds,                           ONLY: dp
 #include "./common/cp_common_uses.f90"
 

diff --git a/src/block_p_types.F b/src/block_p_types.F
@@ -10,7 +10,7 @@
 !> \author fxcoudert [2006.12]
 ! *****************************************************************************
 MODULE block_p_types
-  USE f77_blas
+
   USE kinds,                           ONLY: dp
 #include "./common/cp_common_uses.f90"
 

diff --git a/src/bsse.F b/src/bsse.F
@@ -24,7 +24,6 @@ MODULE bsse
   USE cp_subsys_types,                 ONLY: cp_subsys_get,&
                                              cp_subsys_release,&
                                              cp_subsys_type
-  USE f77_blas
   USE force_env_methods,               ONLY: force_env_calc_energy_force
   USE force_env_types,                 ONLY: force_env_get,&
                                              force_env_release,&

diff --git a/src/cell_methods.F b/src/cell_methods.F
@@ -24,7 +24,6 @@ MODULE cell_methods
                                              parser_release
   USE cp_units,                        ONLY: cp_unit_from_cp2k,&
                                              cp_unit_to_cp2k
-  USE f77_blas
   USE input_constants,                 ONLY: do_cell_cp2k,&
                                              do_cell_xsc
   USE input_cp2k_subsys,               ONLY: create_cell_section