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Add eigen in libint in configure script
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parent
67be38f588
commit
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21
configure
vendored
21
configure
vendored
@ -72,7 +72,9 @@ d_dependency = {
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"ninja": ["g++", "python"],
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"ninja": ["g++", "python"],
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"make": [],
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"make": [],
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"p_graphviz": ["python"],
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"p_graphviz": ["python"],
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"bats": []
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"bats": [],
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"eigen": [],
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"libint": ["eigen"]
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}
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}
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from collections import namedtuple
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from collections import namedtuple
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@ -148,23 +150,32 @@ f77zmq = Info(
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# join(QP_ROOT, "src", "ZMQ", "f77zmq.h") )
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# join(QP_ROOT, "src", "ZMQ", "f77zmq.h") )
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p_graphviz = Info(
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p_graphviz = Info(
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url='https://github.com/xflr6/graphviz/archive/master.tar.gz',
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url='{head}/xflr6/graphviz/{tail}'.format(**path_github),
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description=' Python library for graphviz',
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description=' Python library for graphviz',
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default_path=join(QP_ROOT_INSTALL, "p_graphviz"))
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default_path=join(QP_ROOT_INSTALL, "p_graphviz"))
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bats = Info(
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bats = Info(
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url='https://github.com/sstephenson/bats/archive/master.tar.gz',
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url='{head}/sstephenson/bats/{tail}'.format(**path_github),
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description=' Bash Automated Testing System',
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description=' Bash Automated Testing System',
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default_path=join(QP_ROOT_INSTALL, "bats"))
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default_path=join(QP_ROOT_INSTALL, "bats"))
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libint = Info(
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url='{head}/evaleev/libint/releases/download/v2.1.0-beta2/libint-2.1.0-beta2.tgz'.format(**path_github),
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description=' Libint is a high-performance library for computing Gaussian integrals in quantum mechanics',
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default_path=join(QP_ROOT_INSTALL, "libint"))
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eigen = Info(
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url='http://bitbucket.org/eigen/eigen/get/3.2.8.tar.gz',
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description=' Eigen is a C++ template library for linear algebra.',
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default_path=join(QP_ROOT_INSTALL, "eigen"))
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d_info = dict()
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d_info = dict()
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for m in ["ocaml", "m4", "curl", "zlib", "patch", "irpf90", "docopt",
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for m in ["ocaml", "m4", "curl", "zlib", "patch", "irpf90", "docopt",
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"resultsFile", "ninja", "emsl", "ezfio", "p_graphviz",
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"resultsFile", "ninja", "emsl", "ezfio", "p_graphviz",
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"zeromq", "f77zmq","bats" ]:
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"zeromq", "f77zmq","bats","libint","eigen"]:
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exec ("d_info['{0}']={0}".format(m))
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exec ("d_info['{0}']={0}".format(m))
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def find_path(bin_, l_installed, var_for_qp_root=False):
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def find_path(bin_, l_installed, var_for_qp_root=False):
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"""Use the global variable
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"""Use the global variable
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* l_installed
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* l_installed
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10
install/scripts/install_eigen.sh
Executable file
10
install/scripts/install_eigen.sh
Executable file
@ -0,0 +1,10 @@
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#!/bin/bash -x
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TARGET=eigen
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function _install()
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{
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cp -R ${BUILD} . || exit 1
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}
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source scripts/build.sh
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33
install/scripts/install_libint.sh
Executable file
33
install/scripts/install_libint.sh
Executable file
@ -0,0 +1,33 @@
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#!/bin/bash -x
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TARGET=libint
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function _install()
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{
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cd ..
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QP_ROOT=$PWD
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cd -
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cp -R ${BUILD} . || exit 1
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cd ${TARGET}
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export CXX="c++"
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export CXXFLAGS=" -O3 -std=c++0x"
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./configure --with-cxx-optflags
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cd -
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g++ -O2 -std=c++0x -DHAVE_CONFIG_H -I${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
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mv integral_bielec.o ${QP_ROOT}/src/Integrals_Bielec/
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}
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BUILD=_build/${TARGET}
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rm -rf -- ${BUILD}
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mkdir ${BUILD} || exit 1
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tar -zxf Downloads/${TARGET}.tgz --strip-components=1 --directory=${BUILD} || exit 1
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_install || exit 1
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rm -rf -- ${BUILD} _build/${TARGET}.log
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exit 0
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