mirror of
https://github.com/LCPQ/quantum_package
synced 2024-11-18 12:03:57 +01:00
578 lines
16 KiB
Python
Executable File
578 lines
16 KiB
Python
Executable File
#!/usr/bin/env python
|
|
# -*- coding: utf-8 -*-
|
|
"""configure
|
|
|
|
Usage: configure <config_file> (--production | --development)
|
|
|
|
|
|
Options:
|
|
|
|
config_file A config file with all the information for compiling.
|
|
Example config_files are given in config/
|
|
|
|
--production You can only compile **all** the modules with this flag,
|
|
but it will compile lighting fast.
|
|
|
|
--development this will create a build.ninja for each directory which
|
|
contains a binary. In a second step you may compile them
|
|
individually if you like.
|
|
|
|
|
|
Examples:
|
|
|
|
./configure config/gfortran.cfg --production
|
|
./configure config/ifort.cfg --development
|
|
|
|
|
|
"""
|
|
|
|
OK="✓"
|
|
FAIL="✗"
|
|
import subprocess
|
|
import os
|
|
import sys
|
|
|
|
from os.path import join
|
|
|
|
if not any(i in ["--production", "--development"] for i in sys.argv):
|
|
sys.argv += ["--development"]
|
|
|
|
if len(sys.argv) != 3:
|
|
print __doc__
|
|
sys.exit()
|
|
|
|
# __ _
|
|
# /__ | _ |_ _. | o ._ _|_ _
|
|
# \_| |_ (_) |_) (_| | | | | | (_)
|
|
#
|
|
|
|
try:
|
|
QP_ROOT = os.environ["QP_ROOT"]
|
|
except KeyError:
|
|
QP_ROOT = os.getcwd()
|
|
os.environ["QP_ROOT"] = QP_ROOT
|
|
|
|
QP_ROOT_BIN = join(QP_ROOT, "bin")
|
|
QP_ROOT_LIB = join(QP_ROOT, "lib")
|
|
QP_ROOT_INSTALL = join(QP_ROOT, "install")
|
|
|
|
os.environ["PATH"] = os.environ["PATH"] + ":" + QP_ROOT_BIN
|
|
|
|
d_dependency = {
|
|
"ocaml": ["m4", "curl", "zlib", "patch", "gcc", "zeromq"],
|
|
"m4": ["make"],
|
|
"curl": ["make"],
|
|
"zlib": ["gcc", "make"],
|
|
"patch": ["make"],
|
|
"ezfio": ["irpf90"],
|
|
"irpf90": ["python"],
|
|
"docopt": ["python"],
|
|
"resultsFile": ["python"],
|
|
"emsl": ["python"],
|
|
"gcc": [],
|
|
"gmp": [ "gcc", "make" ],
|
|
"g++": [],
|
|
"zeromq" : [ "g++", "make" ],
|
|
"f77zmq" : [ "zeromq", "python", "make" ],
|
|
"python": [],
|
|
"ninja": ["g++", "python"],
|
|
"make": [],
|
|
"p_graphviz": ["python"],
|
|
"bats": []
|
|
}
|
|
|
|
from collections import namedtuple
|
|
|
|
Info = namedtuple("Info", ["url", "description", "default_path"])
|
|
|
|
path_github = {"head": "http://github.com", "tail": "archive/master.tar.gz"}
|
|
|
|
ocaml = Info(
|
|
url='http://raw.github.com/ocaml/opam/master/shell/opam_installer.sh',
|
|
description=' Ocaml, Opam and the Core library (it will take some time roughly 20min)',
|
|
default_path=join(QP_ROOT_BIN, "opam"))
|
|
|
|
m4 = Info(
|
|
url="http://ftp.gnu.org/gnu/m4/m4-latest.tar.gz",
|
|
description=" m4",
|
|
default_path=join(QP_ROOT_BIN, "m4"))
|
|
|
|
curl = Info(
|
|
url="http://qmcchem.ups-tlse.fr/files/scemama/curl-7.30.0.ermine.tar.bz2",
|
|
description=" curl",
|
|
default_path=join(QP_ROOT_BIN, "curl"))
|
|
|
|
zlib = Info(
|
|
url='http://zlib.net/zlib-1.2.8.tar.gz',
|
|
description=' zlib',
|
|
default_path=join(QP_ROOT_LIB, "libz.a"))
|
|
|
|
patch = Info(
|
|
url='ftp://ftp.gnu.org/gnu/patch/patch-2.7.5.tar.gz',
|
|
description=' patch',
|
|
default_path=join(QP_ROOT_BIN, "patch"))
|
|
|
|
irpf90 = Info(
|
|
url='{head}/LCPQ/irpf90/{tail}'.format(**path_github),
|
|
description=' IRPF90',
|
|
default_path=join(QP_ROOT_BIN, "irpf90"))
|
|
|
|
docopt = Info(
|
|
url='{head}/docopt/docopt/{tail}'.format(**path_github),
|
|
description=' docopt',
|
|
default_path=join(QP_ROOT_INSTALL, "docopt"))
|
|
|
|
resultsFile = Info(
|
|
url='{head}/LCPQ/resultsFile/{tail}'.format(**path_github),
|
|
description=' resultsFile',
|
|
default_path=join(QP_ROOT_INSTALL, "resultsFile"))
|
|
|
|
ninja = Info(
|
|
url='{head}/martine/ninja/{tail}'.format(**path_github),
|
|
description=' ninja',
|
|
default_path=join(QP_ROOT_BIN, "ninja"))
|
|
|
|
gmp = Info(
|
|
url='https://gmplib.org/download/gmp/gmp-6.1.1.tar.bz2',
|
|
description=' GMP library',
|
|
default_path=join(QP_ROOT_LIB, "libgmp.so"))
|
|
|
|
emsl = Info(
|
|
url='{head}/LCPQ/EMSL_Basis_Set_Exchange_Local/{tail}'.format(**path_github),
|
|
description=' EMSL basis set library',
|
|
default_path=join(QP_ROOT_INSTALL, "emsl"))
|
|
|
|
ezfio = Info(
|
|
url='{head}/LCPQ/EZFIO/{tail}'.format(**path_github),
|
|
description=' EZFIO',
|
|
default_path=join(QP_ROOT_INSTALL, "EZFIO"))
|
|
|
|
zeromq = Info(
|
|
url='https://github.com/zeromq/zeromq4-1/releases/download/v4.1.5/zeromq-4.1.5.tar.gz',
|
|
description=' ZeroMQ',
|
|
default_path=join(QP_ROOT_LIB, "libzmq.a"))
|
|
|
|
f77zmq = Info(
|
|
url='{head}/zeromq/f77_zmq/{tail}'.format(**path_github),
|
|
description=' F77-ZeroMQ',
|
|
default_path=join(QP_ROOT_LIB, "libf77zmq.a") )
|
|
# join(QP_ROOT, "src", "ZMQ", "f77zmq.h") )
|
|
|
|
p_graphviz = Info(
|
|
url='https://github.com/xflr6/graphviz/archive/master.tar.gz',
|
|
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',
|
|
description=' Bash Automated Testing System',
|
|
default_path=join(QP_ROOT_INSTALL, "bats"))
|
|
|
|
d_info = dict()
|
|
|
|
for m in ["ocaml", "m4", "curl", "zlib", "patch", "irpf90", "docopt",
|
|
"resultsFile", "ninja", "emsl", "ezfio", "p_graphviz",
|
|
"zeromq", "f77zmq","bats", "gmp" ]:
|
|
exec ("d_info['{0}']={0}".format(m))
|
|
|
|
|
|
def find_path(bin_, l_installed, var_for_qp_root=False):
|
|
"""Use the global variable
|
|
* l_installed
|
|
* d_info
|
|
"""
|
|
|
|
try:
|
|
locate = l_installed[bin_]
|
|
except KeyError:
|
|
locate = d_info[bin_].default_path
|
|
|
|
if var_for_qp_root:
|
|
locate = locate.replace(QP_ROOT, "${QP_ROOT}")
|
|
|
|
return locate
|
|
|
|
|
|
# _
|
|
# |_ ._ _ _|_ o _ ._
|
|
# | |_| | | (_ |_ | (_) | |
|
|
#
|
|
def check_output(*popenargs, **kwargs):
|
|
"""Run command with arguments and return its output as a string.
|
|
|
|
Backported from Python 2.7 as it's implemented as pure python on stdlib.
|
|
|
|
>>> check_output(['/usr/bin/python', '--version'])
|
|
Python 2.6.2
|
|
"""
|
|
process = subprocess.Popen(stdout=subprocess.PIPE,
|
|
stderr=subprocess.PIPE, *popenargs, **kwargs)
|
|
output, unused_err = process.communicate()
|
|
retcode = process.poll()
|
|
if retcode:
|
|
cmd = kwargs.get("args")
|
|
if cmd is None:
|
|
cmd = popenargs[0]
|
|
error = subprocess.CalledProcessError(retcode, cmd)
|
|
error.output = output
|
|
# print output
|
|
# print unused_err
|
|
raise error
|
|
return output
|
|
|
|
|
|
def checking(d_dependency):
|
|
"""
|
|
For each key in d_dependency check if it is avalabie
|
|
"""
|
|
|
|
def check_python():
|
|
req_version = (2, 6)
|
|
cur_version = sys.version_info
|
|
|
|
# Check python
|
|
if cur_version >= req_version:
|
|
return 1
|
|
else:
|
|
print "To old version (need >2.5). Abort"
|
|
sys.exit(1)
|
|
|
|
def check_availability(binary):
|
|
"""
|
|
If avalable return the path where the binary
|
|
can be found, else return 0
|
|
"""
|
|
|
|
if binary == "python":
|
|
check_python()
|
|
|
|
try:
|
|
a = check_output(["which", binary])
|
|
|
|
if binary == "irpf90":
|
|
version = check_output("irpf90 -v".split()).strip()
|
|
|
|
from distutils.version import LooseVersion
|
|
if LooseVersion(version) < LooseVersion("1.6.7"):
|
|
return 0
|
|
else:
|
|
return a
|
|
|
|
return a
|
|
|
|
except (OSError,subprocess.CalledProcessError):
|
|
default_path = d_info[binary].default_path
|
|
if os.path.exists(default_path):
|
|
return default_path
|
|
else:
|
|
return 0
|
|
|
|
def get_list_descendant(d_dependency, l_installed, l_needed):
|
|
"""
|
|
Descendant : a node reachable by repeated proceeding from parent to child.
|
|
"""
|
|
d_need_genealogy = dict()
|
|
|
|
for need in l_needed:
|
|
d_need_genealogy[need] = None
|
|
for childen in d_dependency[need]:
|
|
if childen not in l_installed:
|
|
d_need_genealogy[childen] = None
|
|
return d_need_genealogy.keys()
|
|
|
|
return d_need_genealogy.keys()
|
|
print """
|
|
_
|
|
|_) _ o _
|
|
| \ (/_ \/ | (/_ \/\/
|
|
|
|
"""
|
|
|
|
print "Checking what you need to install and what is avalaible"
|
|
print ""
|
|
l_installed = dict()
|
|
l_needed = []
|
|
|
|
# Check all the others
|
|
length = max(map(len, d_dependency))
|
|
|
|
for i in d_dependency.keys():
|
|
print "Checking {0:>{1}}...".format(i, length),
|
|
|
|
r = check_availability(i)
|
|
if r:
|
|
print OK+" ( {0} )".format(r.strip())
|
|
l_installed[i] = r.strip()
|
|
else:
|
|
print FAIL
|
|
l_needed.append(i)
|
|
print ""
|
|
|
|
# Expand the needed stuff for all the genealogy
|
|
l_install_descendant = get_list_descendant(d_dependency, l_installed,
|
|
l_needed)
|
|
|
|
return l_installed, l_install_descendant
|
|
|
|
|
|
def installation(l_install_descendant):
|
|
"""
|
|
Installing all the list
|
|
0 install ninja
|
|
1 create ninja
|
|
2 run ninja
|
|
"""
|
|
|
|
def create_rule_ninja():
|
|
|
|
l_rules = [
|
|
"rule download",
|
|
" command = wget --no-check-certificate ${url} -O ${out} -o /dev/null",
|
|
" description = Downloading ${descr}", ""
|
|
]
|
|
|
|
l_rules += [
|
|
"rule install",
|
|
" command = ./scripts/install_${target}.sh > _build/${target}.log 2>&1",
|
|
" description = Installing ${descr}", ""
|
|
]
|
|
|
|
l_rules += [
|
|
"rule install_verbose",
|
|
' command = bash -o pipefail -c "./scripts/install_${target}.sh | tee _build/${target}.log 2>&1" ',
|
|
" description = Installing ${descr}", " pool = console", ""
|
|
]
|
|
|
|
return l_rules
|
|
|
|
def splitext(path):
|
|
for ext in ['.tar.gz', '.tar.bz2']:
|
|
if path.endswith(ext):
|
|
return path[:-len(ext)], path[-len(ext):]
|
|
return os.path.splitext(path)
|
|
|
|
print """
|
|
___
|
|
| ._ _ _|_ _. | | _. _|_ o _ ._
|
|
_|_ | | _> |_ (_| | | (_| |_ | (_) | |
|
|
|
|
"""
|
|
|
|
d_print = {
|
|
"install_ninja": "Install ninja...",
|
|
"build": "Creating build.ninja...",
|
|
"install": "Installing the dependencies using Ninja..."
|
|
}
|
|
|
|
length = max(map(len, d_print.values()))
|
|
|
|
def str_info(key):
|
|
return "{0:<{1}}".format(d_print[key], length)
|
|
|
|
if "ninja" in l_install_descendant:
|
|
|
|
print str_info("install_ninja"),
|
|
|
|
url = d_info["ninja"].url
|
|
extension = splitext(url)[1]
|
|
path_archive = "Downloads/{0}{1}".format("ninja", extension)
|
|
|
|
l_cmd = ["set -x ;", "cd install &&",
|
|
"wget {0} -O {1} &&".format(url, path_archive),
|
|
"./scripts/install_ninja.sh &&", "cd -"]
|
|
|
|
try:
|
|
check_output(" ".join(l_cmd), shell=True)
|
|
except:
|
|
raise
|
|
else:
|
|
print OK
|
|
|
|
l_install_descendant.remove("ninja")
|
|
|
|
print str_info("build"),
|
|
l_string = create_rule_ninja()
|
|
|
|
l_build = []
|
|
|
|
for need in l_install_descendant:
|
|
|
|
url = d_info[need].url
|
|
extension = splitext(url)[1]
|
|
|
|
archive_path = "Downloads/{0}{1}".format(need, extension)
|
|
|
|
descr = d_info[need].description
|
|
default_path = d_info[need].default_path
|
|
|
|
# Build to download
|
|
l_build += ["build {0}: download".format(archive_path),
|
|
" url = {0}".format(url), " descr = {0}".format(descr),
|
|
""]
|
|
|
|
# Build to install
|
|
l_dependency = [d_info[i].default_path for i in d_dependency[need]
|
|
if i in l_install_descendant]
|
|
str_dependency = " ".join(l_dependency)
|
|
|
|
rule = "install" if need != "ocaml" else "install_verbose"
|
|
|
|
l_build += ["build {0}: {1} {2} {3}".format(default_path, rule,
|
|
archive_path,
|
|
str_dependency),
|
|
" target = {0}".format(need),
|
|
" descr = {0}".format(descr), ""]
|
|
|
|
l_string += l_build
|
|
|
|
path = join(QP_ROOT_INSTALL, "build.ninja")
|
|
with open(path, "w+") as f:
|
|
f.write("\n".join(l_string))
|
|
|
|
print OK+" ({0})".format(path)
|
|
|
|
print str_info("install"),
|
|
print "Running"
|
|
try:
|
|
path_ninja = find_path("ninja", l_installed)
|
|
subprocess.check_call("cd install ;{0}".format(path_ninja), shell=True)
|
|
except:
|
|
prefix = os.path.join('install', '_build')
|
|
for filename in os.listdir(prefix):
|
|
if filename.endswith(".log"):
|
|
with open( os.path.join(prefix,filename) ,'r') as f:
|
|
print "\n\n"
|
|
print "=-=-=-=-=-=- %s =-=-=-=-=-=-" %(filename)
|
|
print f.read()
|
|
print "=-=-=-=-=-=-=-=-=-=-=-=-=-=-\n\n"
|
|
print "Error in installation of dependencies"
|
|
sys.exit(1)
|
|
else:
|
|
print r"""
|
|
_________
|
|
< Success >
|
|
---------
|
|
\ ^__^
|
|
\ (oo)\_______
|
|
(__)\ )\/\
|
|
||----w |
|
|
|| ||
|
|
"""
|
|
|
|
|
|
def create_ninja_and_rc(l_installed):
|
|
print """
|
|
_
|
|
|_ o ._ _. | o _ _
|
|
| | | | (_| | | /_ (/_
|
|
|
|
"""
|
|
|
|
d_print = {"qp_root": "Creating quantum_package.rc...",
|
|
"build": "Creating build.ninja..."}
|
|
|
|
length = max(map(len, d_print.values()))
|
|
|
|
def str_info(key):
|
|
return "{0:<{1}}".format(d_print[key], length)
|
|
|
|
print str_info("qp_root"),
|
|
python_path = [join(QP_ROOT, "scripts"), join(QP_ROOT, "install")]
|
|
|
|
l_python = [join("${QP_ROOT}", "scripts")]
|
|
for dir_ in python_path:
|
|
for folder in os.listdir(dir_):
|
|
path = join(dir_, folder)
|
|
if os.path.isdir(path):
|
|
path = path.replace(QP_ROOT,"${QP_ROOT}")
|
|
l_python.append(path)
|
|
|
|
path_ezfio = find_path('ezfio', l_installed, var_for_qp_root=True)
|
|
path_irpf90 = find_path("irpf90", l_installed, var_for_qp_root=True)
|
|
path_ninja = find_path("ninja", l_installed, var_for_qp_root=True)
|
|
|
|
l_rc = [
|
|
'export QP_ROOT={0}'.format(QP_ROOT),
|
|
'export QP_EZFIO={0}'.format(path_ezfio.replace(QP_ROOT,"${QP_ROOT}")),
|
|
'export QP_PYTHON={0}'.format(":".join(l_python)), "",
|
|
'export IRPF90={0}'.format(path_irpf90.replace(QP_ROOT,"${QP_ROOT}")),
|
|
'export NINJA={0}'.format(path_ninja.replace(QP_ROOT,"${QP_ROOT}")),
|
|
'export PYTHONPATH="${QP_EZFIO}/Python":"${QP_PYTHON}":"${PYTHONPATH}"',
|
|
'export PATH="${QP_PYTHON}":"${QP_ROOT}"/bin:"${QP_ROOT}"/ocaml:"${PATH}"',
|
|
'export LD_LIBRARY_PATH="${QP_ROOT}"/lib:"${LD_LIBRARY_PATH}"',
|
|
'export LIBRARY_PATH="${QP_ROOT}"/lib:"${LIBRARY_PATH}"',
|
|
'export C_INCLUDE_PATH="${C_INCLUDE_PATH}":"${QP_ROOT}"/include',
|
|
'',
|
|
'source ${QP_ROOT}/install/EZFIO/Bash/ezfio.sh', "",
|
|
'source ${HOME}/.opam/opam-init/init.sh > /dev/null 2> /dev/null || true',
|
|
'',
|
|
'# Choose the correct network interface',
|
|
'# export QP_NIC=ib0',
|
|
'# export QP_NIC=eth0',
|
|
""
|
|
]
|
|
|
|
path = join(QP_ROOT, "quantum_package.rc")
|
|
with open(path, "w+") as f:
|
|
f.write("\n".join(l_rc))
|
|
|
|
print OK+" ({0})".format(path)
|
|
|
|
command = ['bash', '-c', 'source {0} && env'.format(path)]
|
|
proc = subprocess.Popen(command, stdout=subprocess.PIPE)
|
|
for line in proc.stdout:
|
|
(key, _, value) = line.partition("=")
|
|
os.environ[key] = value.strip()
|
|
|
|
print str_info("build"),
|
|
|
|
qp_create_ninja = os.path.join(QP_ROOT, "scripts", "compilation",
|
|
"qp_create_ninja.py")
|
|
|
|
l = [qp_create_ninja, "create"] + sys.argv[1:]
|
|
|
|
try:
|
|
with open('/dev/null', 'w') as dnull:
|
|
subprocess.check_call(" ".join(l), shell=True,stderr=dnull)
|
|
except:
|
|
print "[ FAIL ]"
|
|
print "Check the validity of the config file provided ({0})".format(sys.argv[1])
|
|
print "Exit..."
|
|
sys.exit(1)
|
|
|
|
else:
|
|
print OK
|
|
|
|
|
|
def recommendation():
|
|
path = join(QP_ROOT, "quantum_package.rc")
|
|
print "Now :"
|
|
print " source {0}".format(path)
|
|
print ""
|
|
print "Then, install the modules you want to install using :"
|
|
print " qp_module.py"
|
|
print ""
|
|
print "Finally :"
|
|
print " ninja"
|
|
print ""
|
|
print "You can install more plugin with the qp_module.py install command"
|
|
print "PS : For more info on compiling the code, read the README.md"
|
|
|
|
|
|
if __name__ == '__main__':
|
|
|
|
l_installed, l_install_descendant = checking(d_dependency)
|
|
|
|
if l_install_descendant:
|
|
print "You will need to install:"
|
|
for i in l_install_descendant:
|
|
print "* {0}".format(i)
|
|
|
|
installation(l_install_descendant)
|
|
else:
|
|
print "Perfect, nothing to install"
|
|
create_ninja_and_rc(l_installed)
|
|
|
|
recommendation()
|
|
|