diff --git a/configure b/configure index 647c4bf3..ebfb70b4 100755 --- a/configure +++ b/configure @@ -20,18 +20,6 @@ git submodule update ARCHITECTURE=$(uname -m) cd ${QP_ROOT}/external/qp2-dependencies echo "Architecture: $ARCHITECTURE" -case $ARCHITECTURE in - aarch64) - git checkout arm64 - ;; - x86_64) - git checkout x86 - ;; - *) - echo "Unknown architecture. Using x86_64." - git checkout x86 - ;; -esac cd ${QP_ROOT} @@ -209,7 +197,7 @@ for PACKAGE in ${PACKAGES} ; do execute << EOF rm -f "\${QP_ROOT}"/bin/ninja - tar -zxvf "\${QP_ROOT}"/external/qp2-dependencies/ninja.tar.gz + tar -zxvf "\${QP_ROOT}"/external/qp2-dependencies/${ARCHITECTURE}/ninja.tar.gz mv ninja "\${QP_ROOT}"/bin/ EOF @@ -256,7 +244,7 @@ EOF source "${QP_ROOT}"/quantum_package.rc rm -rf "${QP_ROOT}"/external/opampack cd "${QP_ROOT}"/external/ - tar --gunzip --extract --file qp2-dependencies/opampack.tar.gz + tar --gunzip --extract --file qp2-dependencies/${ARCHITECTURE}/opampack.tar.gz cd "${QP_ROOT}"/external/opampack ./install.sh export OPAMROOT="${QP_ROOT}"/external/opampack/opamroot diff --git a/external/ezfio b/external/ezfio index ed1df9f3..d5805497 160000 --- a/external/ezfio +++ b/external/ezfio @@ -1 +1 @@ -Subproject commit ed1df9f3c1f51752656ca98da5693a4119add05c +Subproject commit d5805497fa0ef30e70e055cde1ecec2963303e93 diff --git a/external/irpf90 b/external/irpf90 index 33ca5e10..0007f72f 160000 --- a/external/irpf90 +++ b/external/irpf90 @@ -1 +1 @@ -Subproject commit 33ca5e1018f3bbb5e695e6ee558f5dac0753b271 +Subproject commit 0007f72f677fe7d61c5e1ed461882cb239517102 diff --git a/external/qp2-dependencies b/external/qp2-dependencies index f40bde09..b8cd5815 160000 --- a/external/qp2-dependencies +++ b/external/qp2-dependencies @@ -1 +1 @@ -Subproject commit f40bde0925808bbec0424b57bfcef1b26473a1c8 +Subproject commit b8cd5815bce14c9b880e3c5ea3d5fc2652f5955c diff --git a/ocaml/Input_nuclei_by_hand.ml b/ocaml/Input_nuclei_by_hand.ml index 44747f20..9921237c 100644 --- a/ocaml/Input_nuclei_by_hand.ml +++ b/ocaml/Input_nuclei_by_hand.ml @@ -84,7 +84,7 @@ end = struct Ezfio.get_nuclei_nucl_coord() |> Ezfio.flattened_ezfio in - let zero = Point3d.of_string Units.Bohr "0. 0. 0." in + let zero = Point3d.of_string ~units:Units.Bohr "0. 0. 0." in let result = Array.make nucl_num zero in for i=0 to (nucl_num-1) do @@ -218,7 +218,7 @@ Nuclear coordinates in xyz format (Angstroms) :: and lines = Array.of_list lines in List.init (Nucl_number.to_int nucl_num) (fun i -> - Atom.of_string Units.Angstrom lines.(i)) + Atom.of_string ~units:Units.Angstrom lines.(i)) end | _ -> failwith "Error in xyz format" in