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mirror of https://github.com/LCPQ/quantum_package synced 2024-12-23 04:43:50 +01:00

Add eigen in libint in configure script

This commit is contained in:
TApplencourt 2016-03-07 18:23:22 +01:00
parent 67be38f588
commit 17992cc1ea
3 changed files with 59 additions and 5 deletions

21
configure vendored
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@ -72,7 +72,9 @@ d_dependency = {
"ninja": ["g++", "python"], "ninja": ["g++", "python"],
"make": [], "make": [],
"p_graphviz": ["python"], "p_graphviz": ["python"],
"bats": [] "bats": [],
"eigen": [],
"libint": ["eigen"]
} }
from collections import namedtuple from collections import namedtuple
@ -148,23 +150,32 @@ f77zmq = Info(
# join(QP_ROOT, "src", "ZMQ", "f77zmq.h") ) # join(QP_ROOT, "src", "ZMQ", "f77zmq.h") )
p_graphviz = Info( 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', description=' Python library for graphviz',
default_path=join(QP_ROOT_INSTALL, "p_graphviz")) default_path=join(QP_ROOT_INSTALL, "p_graphviz"))
bats = Info( 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', description=' Bash Automated Testing System',
default_path=join(QP_ROOT_INSTALL, "bats")) 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() d_info = dict()
for m in ["ocaml", "m4", "curl", "zlib", "patch", "irpf90", "docopt", for m in ["ocaml", "m4", "curl", "zlib", "patch", "irpf90", "docopt",
"resultsFile", "ninja", "emsl", "ezfio", "p_graphviz", "resultsFile", "ninja", "emsl", "ezfio", "p_graphviz",
"zeromq", "f77zmq","bats" ]: "zeromq", "f77zmq","bats","libint","eigen"]:
exec ("d_info['{0}']={0}".format(m)) exec ("d_info['{0}']={0}".format(m))
def find_path(bin_, l_installed, var_for_qp_root=False): def find_path(bin_, l_installed, var_for_qp_root=False):
"""Use the global variable """Use the global variable
* l_installed * l_installed

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@ -0,0 +1,10 @@
#!/bin/bash -x
TARGET=eigen
function _install()
{
cp -R ${BUILD} . || exit 1
}
source scripts/build.sh

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@ -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