From 28578c05626133262dd5d1e2df26de6d9f7349f4 Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Thu, 5 Mar 2020 08:51:39 +0100 Subject: [PATCH] use zmq_f77_free.h --- configure | 10 ++++++---- etc/paths.rc | 1 + src/determinants/h_apply.template.f | 3 --- src/zmq/f77_zmq.h | 1 - src/zmq/f77_zmq_module.f90 | 2 +- 5 files changed, 8 insertions(+), 9 deletions(-) delete mode 120000 src/zmq/f77_zmq.h diff --git a/configure b/configure index 50046cb1..14e38065 100755 --- a/configure +++ b/configure @@ -278,6 +278,8 @@ EOF download ${ZEROMQ_URL} "${QP_ROOT}"/external/zeromq.tar.gz execute << EOF + export CC=gcc + export CXX=g++ cd "\${QP_ROOT}"/external tar --gunzip --extract --file zeromq.tar.gz rm zeromq.tar.gz @@ -326,8 +328,8 @@ EOF rm ${QP_ROOT}/external/opam_installer.sh # source ${OPAMROOT}/opam-init/init.sh > /dev/null 2> /dev/null || true # -# opam switch create ocaml-base-compiler.4.07.1 - opam init --verbose --yes --compiler=4.07.1 --disable-sandboxing +# opam switch create ocaml-base-compiler.4.10.0 + opam init --verbose --yes --compiler=4.10.0 --disable-sandboxing eval $(opam env) opam install -y ${OCAML_PACKAGES} || exit 1 @@ -346,9 +348,9 @@ EOF EOF rm ${QP_ROOT}/external/opam_installer.sh # source ${OPAMROOT}/opam-init/init.sh > /dev/null 2> /dev/null || true -# opam switch create ocaml-base-compiler.4.07.1 || exit 1 +# opam switch create ocaml-base-compiler.4.10.0 || exit 1 - opam init --verbose --yes --compiler=4.07.1 --disable-sandboxing + opam init --verbose --yes --compiler=4.10.0 --disable-sandboxing eval $(opam env) execute << EOF opam install -y \${OCAML_PACKAGES} || exit 1 diff --git a/etc/paths.rc b/etc/paths.rc index ce82358a..366286d7 100644 --- a/etc/paths.rc +++ b/etc/paths.rc @@ -38,5 +38,6 @@ export LD_LIBRARY_PATH=$(qp_prepend_export "LD_LIBRARY_PATH" "${QP_ROOT}"/lib) export LIBRARY_PATH=$(qp_prepend_export "LIBRARY_PATH" "${QP_ROOT}"/lib:"${QP_ROOT}"/lib64) export C_INCLUDE_PATH=$(qp_prepend_export "C_INCLUDE_PATH" "${QP_ROOT}"/include) +export CPATH=$(qp_prepend_export "CPATH" "${QP_ROOT}"/include) diff --git a/src/determinants/h_apply.template.f b/src/determinants/h_apply.template.f index f16d2e7f..c57f93b5 100644 --- a/src/determinants/h_apply.template.f +++ b/src/determinants/h_apply.template.f @@ -240,9 +240,6 @@ subroutine $subroutine_diexcOrg(key_in,key_mask,hole_1,particl_1,hole_2, particl ! hole = a^(+)_j_a(ispin) a_i_a(ispin)|key_in> : single exc :: orb(i_a,ispin) --> orb(j_a,ispin) hole_save = hole - ! Build array of the non-zero integrals of second excitation - $filter_integrals - if (ispin == 1) then integer :: jjj diff --git a/src/zmq/f77_zmq.h b/src/zmq/f77_zmq.h deleted file mode 120000 index ac5e33cd..00000000 --- a/src/zmq/f77_zmq.h +++ /dev/null @@ -1 +0,0 @@ -../../include/f77_zmq_free.h \ No newline at end of file diff --git a/src/zmq/f77_zmq_module.f90 b/src/zmq/f77_zmq_module.f90 index d0f551fa..1e4a5af3 100644 --- a/src/zmq/f77_zmq_module.f90 +++ b/src/zmq/f77_zmq_module.f90 @@ -1,4 +1,4 @@ module f77_zmq - include 'f77_zmq.h' + include 'f77_zmq_free.h' end module