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Code Issues Releases Wiki Activity

New setup v2

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This commit is contained in:
Thomas Applencourt 2015-06-08 12:35:40 +02:00
parent 430b2ed597
commit f26f761b0b
4 changed files with 369 additions and 20 deletions
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4
install/scripts/install_irpf90.sh
View File

@ -13,8 +13,8 @@ function _install()
[[ -x ./irpf90/bin/irpf90 ]] || return 1
[[ -x ./irpf90/bin/irpman ]] || return 1
rm -rf -- ../bin/irpf90 ../bin/irpman
echo 'exec ${QMCCHEM_PATH}/install/irpf90/bin/irpf90 $@' > ../bin/irpf90 || return 1
echo 'exec ${QMCCHEM_PATH}/install/irpf90/bin/irpman $@' > ../bin/irpman || return 1
echo 'exec ${QPACKAGE_ROOT}/install/irpf90/bin/irpf90 $@' > ../bin/irpf90 || return 1
echo 'exec ${QPACKAGE_ROOT}/install/irpf90/bin/irpman $@' > ../bin/irpman || return 1
chmod +x ../bin/irpf90 ../bin/irpman || return 1
return 0
}

27
scripts/compilation/qp_create_ninja.py
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@ -26,7 +26,7 @@ except ImportError:
QPACKAGE_ROOT = os.environ['QPACKAGE_ROOT']
QPACKAGE_ROOT_SRC = join(QPACKAGE_ROOT, 'src')
QPACKAGE_ROOT_EZFIO = join(QPACKAGE_ROOT, 'EZFIO')
QPACKAGE_ROOT_EZFIO = join(QPACKAGE_ROOT, 'install', 'EZFIO')
EZFIO_LIB = join(QPACKAGE_ROOT_EZFIO, "lib", "libezfio.a")
@ -57,8 +57,7 @@ def ninja_create_env_variable(pwd_config_file):
l_string.append(str_)
lib_lapack = get_compilation_option(pwd_config_file, "LAPACK_LIB")
lib_ezfio = join(QPACKAGE_ROOT_EZFIO, "lib", "libezfio_irp.a")
l_string.append("{0} = {1} {2}".format("LIB", lib_lapack, lib_ezfio))
l_string.append("{0} = {1} {2}".format("LIB", lib_lapack, EZFIO_LIB))
l_string.append("")
@ -313,7 +312,7 @@ def get_l_file_for_module(path_module):
l_depend.append(join(path_module.abs, f))
elif f.lower().endswith(tuple([".f", ".f90", ".c", ".cpp", ".cxx"])):
l_depend.append(join(path_module.abs,f))
l_src.append(f)
l_src.append(f)
obj = '{0}.o'.format(os.path.splitext(f)[0])
l_obj.append(obj)
elif f == "EZFIO.cfg":
@ -337,18 +336,20 @@ def get_file_dependency(d_info_module):
for key, values in get_l_file_for_module(module).iteritems():
if key in ["l_src"]:
values = [join(module.abs,o) for o in values]
if key in ["l_obj"]:
values = [join(module.abs,"IRPF90_temp",o) for o in values]
values = [join(module.abs,o) for o in values]
if key in ["l_obj"]:
values = [join(module.abs,"IRPF90_temp",o) for o in values]
d_irp[module][key] = values
for children in l_children:
for key, values in get_l_file_for_module(children).iteritems():
if key in ["l_src"]:
values = [join(module.abs,children.rel,o) for o in values]
if key in ["l_obj"]:
values = [join(module.abs,"IRPF90_temp",children.rel,o) for o in values]
d_irp[module][key].extend(values)
if key in ["l_src"]:
values = [join(module.abs,children.rel,o) for o in values]
if key in ["l_obj"]:
values = [join(module.abs,"IRPF90_temp",children.rel,o) for o in values]
d_irp[module][key].extend(values)
return d_irp

8
scripts/ezfio_interface/ei_handler.py
View File

@ -368,7 +368,7 @@ def create_ezfio_stuff(dict_ezfio_cfg, config_or_default="config"):
if begin[0] == '-':
a_size_raw.append("{0}+{1}+1".format(end, begin[1:]))
else:
a_size_raw.append("{0}-{1}+1".format(end, begin))
a_size_raw.append("{0}-{1}+1".format(end, begin))
size_raw = ",".join(a_size_raw)
@ -454,10 +454,8 @@ def save_ezfio_config(module_lower, str_ezfio_config):
Write the str_ezfio_config in
"$QPACKAGE_ROOT/EZFIO/{0}.ezfio_interface_config".format(module_lower)
"""
root_ezfio = "{0}/EZFIO".format(os.environ['QPACKAGE_ROOT'])
path = "{0}/config/{1}.ezfio_interface_config".format(root_ezfio,
module_lower)
name = "{0}.ezfio_interface_config".format(module_lower)
path = os.path.join(os.environ['QP_EZFIO'], "config", name)
with open(path, "w+") as f:
f.write(str_ezfio_config)

350
setup_environment.py Executable file
View File

@ -0,0 +1,350 @@
#!/usr/bin/env python
# -*- coding: utf-8 -*-
import subprocess
import os
import sys
import pprint
from os.path import join
# __ _
# /__ | _ |_ _. | o ._ _|_ _
# \_| |_ (_) |_) (_| | | | | | (_)
#
QPACKAGE_ROOT = os.getcwd()
QPACKAGE_ROOT_BIN = join(QPACKAGE_ROOT, "bin")
QPACKAGE_ROOT_INSTALL = join(QPACKAGE_ROOT, "install")
d_dependancy = {
"ocaml": ["m4", "curl", "zlib", "patch", "gcc"],
"m4": [],
"curl": [],
"zlib": ["gcc"],
"patch": [],
"ezfio": ["irpf90"],
"irpf90": ["python"],
"docopt": ["python"],
"resultsFile": ["python"],
"emsl": ["python"],
"gcc": [],
"python": [],
"ninja": ["gcc", "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',
default_path=join(QPACKAGE_ROOT_BIN, "opam"))
m4 = Info(
url="http://ftp.gnu.org/gnu/m4/m4-latest.tar.gz",
description=" m4",
default_path=join(QPACKAGE_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(QPACKAGE_ROOT_BIN, "curl"))
zlib = Info(
url='http://zlib.net/zlib-1.2.8.tar.gz',
description=' zlib',
default_path=join(QPACKAGE_ROOT_INSTALL, "zlib"))
path = Info(
url='ftp://ftp.gnu.org/gnu/patch/patch-2.7.5.tar.gz',
description=' path',
default_path=join(QPACKAGE_ROOT_BIN, "patch"))
irpf90 = Info(
url='{head}/scemama/irpf90/archive/v1.6.5.tar.gz'.format(**path_github),
description=' irpf90',
default_path=join(QPACKAGE_ROOT_BIN, "irpf90"))
docopt = Info(
url='{head}/docopt/docopt/{tail}'.format(**path_github),
description=' docop',
default_path=join(QPACKAGE_ROOT_INSTALL, "docopt"))
resultsFile = Info(
url='{head}/LCPQ/resultsFile/{tail}'.format(**path_github),
description=' resultsFile',
default_path=join(QPACKAGE_ROOT_INSTALL, "resultsFile"))
ninja = Info(
url='{head}/martine/ninja/{tail}'.format(**path_github),
description=' nina',
default_path=join(QPACKAGE_ROOT_BIN, "ninja"))
emsl = Info(
url='{head}/LCPQ/EMSL_Basis_Set_Exchange_Local/{tail}'.format(**
path_github),
description=' emsl',
default_path=join(QPACKAGE_ROOT_INSTALL, "emsl"))
ezfio = Info(
url='{head}/LCPQ/EZFIO/{tail}'.format(**path_github),
description=' EZFIO',
default_path=join(QPACKAGE_ROOT_INSTALL, "EZFIO"))
d_info = dict()
for m in ["ocaml", "m4", "curl", "zlib", "path", "irpf90", "docopt",
"resultsFile", "ninja", "emsl", "ezfio"]:
exec ("d_info['{0}']={0}".format(m))
l_need = []
# _
# |_ ._ _ _|_ o _ ._
# | |_| | | (_ |_ | (_) | |
#
def check_output(*popenargs, **kwargs):
r"""Run command with arguments and return its output as a byte 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, *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
raise error
return output
def check_python():
req_version = (2, 6)
cur_version = sys.version_info
# Check python
if cur_version >= req_version:
l_installed["python"] = ""
else:
print "To old version (need >2.5). Abort"
sys.exit(1)
def check_avabiliy(binary):
if binary == "zlib":
binary = "zlib-flate"
if binary == "python":
check_python()
try:
return check_output(["which", binary])
except subprocess.CalledProcessError:
default_path = d_info[binary].default_path
if os.path.exists(default_path):
return default_path
else:
return 0
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)
l_installed = dict()
print """
_
/ |_ _ _ | o ._ _
\_ | | (/_ (_ |< | | | (_|
_|
"""
# Check all the other
for i in d_dependancy.keys():
print "Checking if you have {0} avalaible...".format(i),
r = check_avabiliy(i)
if r:
print "OK"
l_installed[i] = r.strip()
else:
print "We will try to compile if from source in a few moment"
l_need.append(i)
# Expend the need_stuff for all the genealogy
d_need_genealogy = dict()
for need in l_need:
d_need_genealogy[need] = None
for childen in d_dependancy[need]:
if childen not in l_installed:
d_need_genealogy[childen] = None
l_need_genealogy = d_need_genealogy.keys()
print """
__
(_ ._ _ ._ _ _. ._
__) |_| | | | | | | (_| | \/
/
"""
print "You have already installed :"
pprint.pprint(l_installed)
print """
___
| ._ _ _|_ _. | | _. _|_ o _ ._
_|_ | | _> |_ (_| | | (_| |_ | (_) | |
"""
if l_need_genealogy:
print "You need to install"
pprint.pprint(l_need_genealogy)
else:
print "Nothing to do"
sys.exit()
if "ninja" in l_need_genealogy:
print """
# ~#~#~#~#~#~#~#~#~#~#~#~#~ #
# I n s t a l l _ n i n j a #
# ~#~#~#~#~#~#~#~#~#~#~#~#~ #
"""
url = d_info["ninja"].url
extension = splitext(url)[1]
path_archive = "Downloads/{0}{1}".format("ninja", extension)
l_cmd = ["cd install;",
"wget {0} -O {1} -o /dev/null ;".format(url, path_archive),
"./scripts/install_ninja.sh;", "cd -"]
subprocess.check_call(" ".join(l_cmd), shell=True)
print """
# ~#~#~#~#~#~#~#~#~#~#~#~#~#~ #
# C r e a t i n g _ n i n j a #
# ~#~#~#~#~#~#~#~#~#~#~#~#~#~ #
"""
def create_rule():
l_rules = [
"rule download", " command = wget ${url} -O ${out} -o /dev/null",
" description = Downloading ${descr}", "", "rule install",
" command = ./scripts/install_${target}.sh > _build/${target}.log 2>&1",
" description = Installing ${descr}", ""
]
return l_rules
l_string = create_rule()
l_build = []
for need in l_need_genealogy:
url = d_info[need].url
extension = splitext(url)[1]
archive_path = "Downloads/{0}{1}".format(need, extension)
descr = d_info[need].description
# Build to dowload
l_build += ["build {0}: download".format(archive_path),
" url = {0}".format(url),
" descr = {0}".format(descr), ""]
# Build to install
l_dependancy = [d_info[i].default_path for i in d_dependancy[need] if i in l_need_genealogy]
l_build += ["build {0}: install {1} {2}".format(d_info[need].default_path,
archive_path,
" ".join(l_dependancy)),
" target = {0}".format(need),
" descr = {0}".format(descr), ""]
l_string += l_build
path = join(QPACKAGE_ROOT_INSTALL, "build.ninja")
with open(path, "w+") as f:
f.write("\n".join(l_string))
print "Done"
print "You can check at {0}".format(path)
print """
# ~#~#~#~#~#~#~#~#~ #
# R u n _ n i n j a #
# ~#~#~#~#~#~#~#~#~ #
"""
subprocess.check_call("./bin/ninja -C install", shell=True)
print """
# ~#~#~#~#~#~#~#~#~#~#~#~#~#~#~#~#~#~#~#~#~#~#~#~#~ #
# C r e a t e q u a n t u m _ p a c k a g e . r c
# ~#~#~#~#~#~#~#~#~#~#~#~#~#~#~#~#~#~#~#~#~#~#~#~#~ #
"""
python_path = [join(QPACKAGE_ROOT, "scripts"), join(QPACKAGE_ROOT, "install")]
l_python = [join(QPACKAGE_ROOT, "scripts")]
for dir_ in python_path:
for folder in os.listdir(dir_):
path = join(dir_, folder)
if os.path.isdir(path):
l_python.append(path)
def find_path(bin_):
try:
locate = l_installed[bin_]
except:
locate = d_info[bin_].default_path
return locate
l_rc = [
'export QPACKAGE_ROOT={0}'.format(QPACKAGE_ROOT),
'export QP_EZFIO={0}'.format(find_path('ezfio')),
'export IRPF90={0}'.format(find_path("irpf90")),
'export NINJA={0}'.format(find_path("ninja")),
'export PYTHONPATH=${{PYTHONPATH}}:{0}'.format(":".join(l_python)), '',
'export PATH=${PATH}:${PYTHONPATH}:"${QPACKAGE_ROOT}"/bin',
'export LD_LIBRARY_PATH="${QPACKAGE_ROOT}"/lib:${LD_LIBRARY_PATH}',
'export LIBRARY_PATH="${QPACKAGE_ROOT}"/lib:${LIBRARY_PATH}', ""
'source . ${HOME}/.opam/opam-init/init.sh > /dev/null 2> /dev/null || true',
""
]
path = join(QPACKAGE_ROOT, "quantum_package.rc")
with open(path, "w+") as f:
f.write("\n".join(l_rc))
print "Done"
print "You can check at {0}".format(path)
print "Don't forget to source it"