diff --git a/install/build.ninja b/install/build.ninja index 351db7d..758982d 100644 --- a/install/build.ninja +++ b/install/build.ninja @@ -7,8 +7,8 @@ URL_OPAM ="https://raw.github.com/ocaml/opam/master/shell/opam_installer.sh" URL_IRPF90="https://github.com/scemama/irpf90/archive/v1.6.7.tar.gz" URL_EZFIO ="https://github.com/scemama/EZFIO/archive/v1.3.1.tar.gz" -URL_ZMQ ="http://download.zeromq.org/zeromq-4.0.7.tar.gz" -#URL_ZMQ ="http://download.zeromq.org/zeromq-4.1.3.tar.gz" +#URL_ZMQ ="http://download.zeromq.org/zeromq-4.0.7.tar.gz" +URL_ZMQ ="http://download.zeromq.org/zeromq-4.1.4.tar.gz" URL_F77ZMQ="https://github.com/scemama/f77_zmq/archive/v4.1.3.tar.gz" # Rules diff --git a/install/scripts/install_ocaml_zmq.sh b/install/scripts/install_ocaml_zmq.sh index 1591fb0..a6f73d7 100755 --- a/install/scripts/install_ocaml_zmq.sh +++ b/install/scripts/install_ocaml_zmq.sh @@ -32,7 +32,7 @@ export C_INCLUDE_PATH="${QMCCHEM_PATH}/lib":$C_INCLUDE_PATH export LIBRARY_PATH="${QMCCHEM_PATH}/lib":$LIBRARY_PATH export LD_LIBRARY_PATH="${QMCCHEM_PATH}/lib":$LD_LIBRARY_PATH set -u -opam install zmq +opam install zmq conf-zmq rm -f _build/ocaml_zmq.log exit 0 diff --git a/install/scripts/install_zmq.sh b/install/scripts/install_zmq.sh index 80da3a3..c3b99ea 100755 --- a/install/scripts/install_zmq.sh +++ b/install/scripts/install_zmq.sh @@ -3,7 +3,8 @@ TARGET=zmq function _install() { - LIBVERSION=4 +# LIBVERSION=4 + LIBVERSION=5 cd .. ; QMCCHEM_PATH="$PWD" ; cd - set +u export C_INCLUDE_PATH="${C_INCLUDE_PATH}":./ @@ -14,10 +15,10 @@ function _install() make -j 8 cd - rm -f -- "${QMCCHEM_PATH}"/lib/libzmq.{a,so,so.$LIBVERSION} -# cp "${BUILD}"/.libs/libzmq.a "${QMCCHEM_PATH}"/lib/ -# cp "${BUILD}"/.libs/libzmq.so "${QMCCHEM_PATH}"/lib/libzmq.so.$LIBVERSION - cp "${BUILD}"/src/.libs/libzmq.a "${QMCCHEM_PATH}"/lib/ - cp "${BUILD}"/src/.libs/libzmq.so "${QMCCHEM_PATH}"/lib/libzmq.so.$LIBVERSION + cp "${BUILD}"/.libs/libzmq.a "${QMCCHEM_PATH}"/lib/ + cp "${BUILD}"/.libs/libzmq.so "${QMCCHEM_PATH}"/lib/libzmq.so.$LIBVERSION +# cp "${BUILD}"/src/.libs/libzmq.a "${QMCCHEM_PATH}"/lib/ +# cp "${BUILD}"/src/.libs/libzmq.so "${QMCCHEM_PATH}"/lib/libzmq.so.$LIBVERSION cp "${BUILD}"/include/{zmq,zmq_utils}.h "${QMCCHEM_PATH}"/lib/ cd "${QMCCHEM_PATH}"/lib ln libzmq.so.$LIBVERSION libzmq.so || cp libzmq.so.$LIBVERSION libzmq.so diff --git a/src/JASTROW/jastrow_core.irp.f b/src/JASTROW/jastrow_core.irp.f index f498a98..da8af7f 100644 --- a/src/JASTROW/jastrow_core.irp.f +++ b/src/JASTROW/jastrow_core.irp.f @@ -14,7 +14,7 @@ jast_elec_Core_range(i) = 0.d0 else double precision :: rc - double precision, parameter :: thresh = 0.5 ! function = thresh at rc + double precision, parameter :: thresh = 0.5d0 ! function = thresh at rc rc = min(0.8d0,max(4.0d0/nucl_charge(i), 0.25d0)) jast_elec_Core_expo(i) = -1.d0/rc**2 * log(thresh) jast_elec_Core_range(i) = dsqrt(15.d0/jast_elec_Core_expo(i))