mirror of
https://github.com/LCPQ/quantum_package
synced 2024-08-24 21:41:46 +02:00
Add eigen in libint in configure script
This commit is contained in:
parent
67be38f588
commit
17992cc1ea
21
configure
vendored
21
configure
vendored
@ -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
|
||||||
|
10
install/scripts/install_eigen.sh
Executable file
10
install/scripts/install_eigen.sh
Executable file
@ -0,0 +1,10 @@
|
|||||||
|
#!/bin/bash -x
|
||||||
|
|
||||||
|
TARGET=eigen
|
||||||
|
|
||||||
|
function _install()
|
||||||
|
{
|
||||||
|
cp -R ${BUILD} . || exit 1
|
||||||
|
}
|
||||||
|
|
||||||
|
source scripts/build.sh
|
33
install/scripts/install_libint.sh
Executable file
33
install/scripts/install_libint.sh
Executable file
@ -0,0 +1,33 @@
|
|||||||
|
#!/bin/bash -x
|
||||||
|
|
||||||
|
TARGET=libint
|
||||||
|
|
||||||
|
function _install()
|
||||||
|
{
|
||||||
|
|
||||||
|
cd ..
|
||||||
|
QP_ROOT=$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
|
||||||
|
|
||||||
|
|
Loading…
Reference in New Issue
Block a user