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quantum_package/configure

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#!/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
"""
import subprocess
import os
import sys
from os.path import join
if not any(i in ["--production", "--development"] for i in sys.argv):
print __doc__
sys.exit()
if len(sys.argv) != 3:
print __doc__
sys.exit()
# __ _
# /__ | _ |_ _. | o ._ _|_ _
# \_| |_ (_) |_) (_| | | | | | (_)
#
QP_ROOT = os.getcwd()
QP_ROOT_BIN = join(QP_ROOT, "bin")
QP_ROOT_INSTALL = join(QP_ROOT, "install")
os.environ["PATH"] = os.environ["PATH"] + ":" + QP_ROOT_BIN
d_dependency = {
"ocaml": ["m4", "curl", "zlib", "patch", "gcc"],
"m4": ["make"],
"curl": ["make"],
"zlib": ["gcc", "make"],
"patch": ["make"],
"ezfio": ["irpf90"],
"irpf90": ["python"],
"docopt": ["python"],
"resultsFile": ["python"],
"emsl": ["python"],
"gcc": [],
"g++": [],
"python": [],
"ninja": ["g++", "python"],
"make": [],
"p_graphviz": ["python"]
}
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_INSTALL, "zlib"))
path = Info(
url='ftp://ftp.gnu.org/gnu/patch/patch-2.7.5.tar.gz',
description=' path',
default_path=join(QP_ROOT, "lib", "libz.a"))
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=' nina',
default_path=join(QP_ROOT_BIN, "ninja"))
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"))
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"))
d_info = dict()
for m in ["ocaml", "m4", "curl", "zlib", "path", "irpf90", "docopt",
"resultsFile", "ninja", "emsl", "ezfio", "p_graphviz"]:
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 or not
"""
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 other
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 ""
# Expend the need_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 ${descr}", ""
]
l_rules += [
"rule install_verbose",
" command = ./scripts/install_${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 with 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 dowload
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:
raise
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):
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),
'export IRPF90={0}'.format(path_irpf90),
'export NINJA={0}'.format(path_ninja),
'export QP_PYTHON={0}'.format(":".join(l_python)), "",
'export PYTHONPATH="${QP_EZFIO}":"${QP_PYTHON}":"${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}"', "",
'source ${QP_ROOT}/install/EZFIO/Bash/ezfio.sh', "",
'source ${HOME}/.opam/opam-init/init.sh > /dev/null 2> /dev/null || true',
""
]
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_install_module.py "
print ""
print "Finally :"
print " ninja"
print " make -C ocaml"
print ""
print "PS : For more info on compiling the code, read the COMPILE_RUN.md file."
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()
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