Updating SIRIUS to latest version

- series of hotfix for sirius including U+V, etc...

Signed-off-by: Dr. Mathieu Taillefumier <mathieu.taillefumier@free.fr>

src/sirius_interface.F

@@ -700,7 +700,7 @@ SUBROUTINE cp_sirius_energy_force(pwdft_env, calculate_forces, calculate_stress_
 
          ALLOCATE (cforces(n2, n1))
          cforces = 0.0_C_DOUBLE
-         CALL sirius_get_forces(gs_handler, 'total', cforces(1, 1))
+         CALL sirius_get_forces(gs_handler, 'total', cforces)
          ! Sirius computes the forces but cp2k use the gradient everywhere
          ! so a minus sign is needed.
          ! note also that sirius and cp2k store the forces transpose to each other
@@ -712,7 +712,7 @@ SUBROUTINE cp_sirius_energy_force(pwdft_env, calculate_forces, calculate_stress_
 
       IF (calculate_stress_tensor) THEN
          cstress = 0.0_C_DOUBLE
-         CALL sirius_get_stress_tensor(gs_handler, 'total', cstress(1, 1))
+         CALL sirius_get_stress_tensor(gs_handler, 'total', cstress)
          stress(1:3, 1:3) = cstress(1:3, 1:3)
          CALL pwdft_env_set(pwdft_env=pwdft_env, stress=stress)
       END IF
@@ -790,9 +790,9 @@ SUBROUTINE cp_sirius_print_results(pwdft_env, print_section)
          END DO
          DO ik = 1, nkpts
             DO ispn = 1, nspins
-               CALL sirius_get_band_energies(ks_handler, ik, ispn, slist(1))
+               CALL sirius_get_band_energies(ks_handler, ik, ispn, slist)
                energies(1:nbands, ispn, ik) = slist(1:nbands)
-               CALL sirius_get_band_occupancies(ks_handler, ik, ispn, slist(1))
+               CALL sirius_get_band_occupancies(ks_handler, ik, ispn, slist)
                occupations(1:nbands, ispn, ik) = slist(1:nbands)
             END DO
          END DO

tools/toolchain/scripts/stage8/install_sirius.sh

@@ -6,8 +6,8 @@
 [ "${BASH_SOURCE[0]}" ] && SCRIPT_NAME="${BASH_SOURCE[0]}" || SCRIPT_NAME=$0
 SCRIPT_DIR="$(cd "$(dirname "$SCRIPT_NAME")/.." && pwd -P)"
 
-sirius_ver="7.3.2"
-sirius_sha256="a256508de6b344345c295ad8642dbb260c4753cd87cc3dd192605c33542955d7"
+sirius_ver="7.4.0"
+sirius_sha256="f9360a695a1e786d8cb9d6702c82dd95144a530c4fa7e8115791c7d1e92b020b"
 
 source "${SCRIPT_DIR}"/common_vars.sh
 source "${SCRIPT_DIR}"/tool_kit.sh