From 17992cc1ea515853f030782a19cb48563162c733 Mon Sep 17 00:00:00 2001 From: TApplencourt Date: Mon, 7 Mar 2016 18:23:22 +0100 Subject: [PATCH] Add eigen in libint in configure script --- configure | 21 +++++++++++++++----- install/scripts/install_eigen.sh | 10 ++++++++++ install/scripts/install_libint.sh | 33 +++++++++++++++++++++++++++++++ 3 files changed, 59 insertions(+), 5 deletions(-) create mode 100755 install/scripts/install_eigen.sh create mode 100755 install/scripts/install_libint.sh diff --git a/configure b/configure index b217cbea..013ff541 100755 --- a/configure +++ b/configure @@ -72,7 +72,9 @@ d_dependency = { "ninja": ["g++", "python"], "make": [], "p_graphviz": ["python"], - "bats": [] + "bats": [], + "eigen": [], + "libint": ["eigen"] } from collections import namedtuple @@ -148,23 +150,32 @@ f77zmq = Info( # join(QP_ROOT, "src", "ZMQ", "f77zmq.h") ) p_graphviz = Info( - url='https://github.com/xflr6/graphviz/archive/master.tar.gz', + url='{head}/xflr6/graphviz/{tail}'.format(**path_github), description=' Python library for graphviz', default_path=join(QP_ROOT_INSTALL, "p_graphviz")) bats = Info( - url='https://github.com/sstephenson/bats/archive/master.tar.gz', + url='{head}/sstephenson/bats/{tail}'.format(**path_github), description=' Bash Automated Testing System', default_path=join(QP_ROOT_INSTALL, "bats")) +libint = Info( + url='{head}/evaleev/libint/releases/download/v2.1.0-beta2/libint-2.1.0-beta2.tgz'.format(**path_github), + description=' Libint is a high-performance library for computing Gaussian integrals in quantum mechanics', + default_path=join(QP_ROOT_INSTALL, "libint")) + +eigen = Info( + url='http://bitbucket.org/eigen/eigen/get/3.2.8.tar.gz', + description=' Eigen is a C++ template library for linear algebra.', + default_path=join(QP_ROOT_INSTALL, "eigen")) + d_info = dict() for m in ["ocaml", "m4", "curl", "zlib", "patch", "irpf90", "docopt", "resultsFile", "ninja", "emsl", "ezfio", "p_graphviz", - "zeromq", "f77zmq","bats" ]: + "zeromq", "f77zmq","bats","libint","eigen"]: exec ("d_info['{0}']={0}".format(m)) - def find_path(bin_, l_installed, var_for_qp_root=False): """Use the global variable * l_installed diff --git a/install/scripts/install_eigen.sh b/install/scripts/install_eigen.sh new file mode 100755 index 00000000..a77ac1f6 --- /dev/null +++ b/install/scripts/install_eigen.sh @@ -0,0 +1,10 @@ +#!/bin/bash -x + +TARGET=eigen + +function _install() +{ + cp -R ${BUILD} . || exit 1 +} + +source scripts/build.sh diff --git a/install/scripts/install_libint.sh b/install/scripts/install_libint.sh new file mode 100755 index 00000000..dae85df8 --- /dev/null +++ b/install/scripts/install_libint.sh @@ -0,0 +1,33 @@ +#!/bin/bash -x + +TARGET=libint + +function _install() +{ + + cd .. + QP_ROOT=$PWD + cd - + + cp -R ${BUILD} . || exit 1 + + cd ${TARGET} + export CXX="c++" + export CXXFLAGS=" -O3 -std=c++0x" + ./configure --with-cxx-optflags + + cd - + g++ -O2 -std=c++0x -DHAVE_CONFIG_H -I${PWD}/${TARGET}/include -I${QP_ROOT}/install/eigen -DPREP_LIBINT2_SKIP_BOOST -L${PWD}/${TARGET}/lib -lint2 -c ${QP_ROOT}/src/Integrals_Bielec/integral_bielec.cc + + mv integral_bielec.o ${QP_ROOT}/src/Integrals_Bielec/ +} + +BUILD=_build/${TARGET} +rm -rf -- ${BUILD} +mkdir ${BUILD} || exit 1 +tar -zxf Downloads/${TARGET}.tgz --strip-components=1 --directory=${BUILD} || exit 1 +_install || exit 1 +rm -rf -- ${BUILD} _build/${TARGET}.log +exit 0 + +