def abicheck(verbose=0):
"""
This function tests if the most important ABINIT executables
can be found in $PATH and whether the python modules needed
at run-time can be imported. Return string with error messages, empty if success.
"""
from monty.termcolor import cprint
err_lines = []
app = err_lines.append
try:
manager = TaskManager.from_user_config()
except Exception:
manager = None
app(_straceback())
# Get info on the Abinit build.
from abipy.core.testing import cmp_version
from abipy.flowtk import PyFlowScheduler
if manager is not None:
cprint("AbiPy Manager:\n%s\n" % str(manager), color="green")
build = AbinitBuild(manager=manager)
if not build.has_netcdf:
app("Abinit executable does not support netcdf")
cprint("Abinitbuild:\n%s" % str(build), color="magenta")
if verbose: cprint(str(build.info), color="magenta")
print()
if not cmp_version(build.version, min_abinit_version, op=">="):
app("Abipy requires Abinit version >= %s but got %s" %
(min_abinit_version, build.version))
# Get info on the scheduler.
try:
scheduler = PyFlowScheduler.from_user_config()
cprint("Abipy Scheduler:\n%s\n" % str(scheduler), color="yellow")
except Exception as exc:
app(_straceback())
from tabulate import tabulate
try:
d = software_stack()
cprint("Installed packages:", color="blue")
cprint(tabulate(list(d.items()), headers=["Package", "Version"]),
color="blue")
print()
except ImportError:
app(_straceback())
return "\n".join(err_lines)
def abicheck(verbose=0):
"""
This function tests if the most important ABINIT executables
can be found in $PATH and whether the python modules needed
at run-time can be imported. Return string with error messages, empty if success.
"""
err_lines = []
app = err_lines.append
try:
manager = TaskManager.from_user_config()
except Exception:
manager = None
app(_straceback())
# Get info on the Abinit build.
from abipy.core.testing import cmp_version
if manager is not None:
print("AbiPy Manager:\n", manager)
print()
build = AbinitBuild(manager=manager)
if not build.has_netcdf: app("Abinit executable does not support netcdf")
print("Abinitbuild:\n", build)
if verbose: print(build.info)
print()
if not cmp_version(build.version, min_abinit_version, op=">="):
app("Abipy requires Abinit version >= %s but got %s" % (min_abinit_version, build.version))
# Get info on the scheduler.
from pymatgen.io.abinit.launcher import PyFlowScheduler
try:
scheduler = PyFlowScheduler.from_user_config()
print("Abipy Scheduler:\n", scheduler)
print()
except Exception as exc:
app(_straceback())
from tabulate import tabulate
try:
d = software_stack()
print("Installed packages:")
print(tabulate(list(d.items()), headers=["Package", "Version"]))
print()
except ImportError:
app(_straceback())
return "\n".join(err_lines)