Merge pull request #2 from xylar/add_discover_machine_function

 Break out `discover_machine()` as separate function

MANIFEST.in

@@ -0,0 +1,2 @@
+include mache/cime_machine_config/*.xml
+include mache/machines/*.cfg

conda/meta.yaml

@@ -0,0 +1,41 @@
+{% set name = "mache" %}
+{% set version = "1.0.0" %}
+
+package:
+  name: {{ name|lower }}
+  version: {{ version }}
+
+source:
+  path: ..
+
+build:
+  number: 0
+  script: {{ PYTHON }} -m pip install . --no-deps -vv
+  noarch: python
+
+requirements:
+  host:
+    - python >=3.6
+    - pip
+  run:
+    - python >=3.6
+    - lxml
+
+test:
+
+  imports:
+    - mache
+
+
+about:
+  home: https://github.com/E3SM-Project/mache
+  license: BSD-3-Clause
+  license_family: BSD
+  license_file: LICENSE
+  summary: A package for providing configuration data relate to E3SM supported machines
+  doc_url: https://github.com/E3SM-Project/mache/README.rst
+  dev_url: https://github.com/E3SM-Project/mache
+
+extra:
+  recipe-maintainers:
+    - xylar

conda/run_test.py

@@ -0,0 +1,11 @@
+#!/usr/bin/env python
+from mache import MachineInfo, discover_machine
+
+machine = discover_machine()
+
+machinfo = MachineInfo(machine='anvil')
+print(machinfo)
+
+machinfo = MachineInfo(machine='unknown')
+print(machinfo)
+

mache/__init__.py

@@ -1,4 +1,5 @@
 from mache.machine_info import MachineInfo
+from mache.discover import discover_machine
 
 __version_info__ = (1, 0, 0)
 __version__ = '.'.join(str(vi) for vi in __version_info__)

mache/discover.py

@@ -0,0 +1,37 @@
+import socket
+import warnings
+
+
+def discover_machine():
+    """
+    Figure out the machine from the host name
+
+    Returns
+    -------
+    machine : str
+        The name of the current machine
+    """
+    hostname = socket.gethostname()
+    if hostname.startswith('acme1'):
+        machine = 'acme1'
+    elif hostname.startswith('andes'):
+        machine = 'andes'
+    elif hostname.startswith('blueslogin'):
+        machine = 'anvil'
+    elif hostname.startswith('ba-fe'):
+        machine = 'badger'
+    elif hostname.startswith('chrlogin'):
+        machine = 'chrysalis'
+    elif hostname.startswith('compy'):
+        machine = 'compy'
+    elif hostname.startswith('cooley'):
+        machine = 'cooley'
+    elif hostname.startswith('cori'):
+        warnings.warn('defaulting to cori-haswell.  Use -m cori-knl if you'
+                      ' wish to run on KNL.')
+        machine = 'cori-haswell'
+    elif hostname.startswith('gr-fe'):
+        machine = 'grizzly'
+    else:
+        machine = None
+    return machine

mache/machine_info.py

@@ -1,10 +1,10 @@
-import socket
-import warnings
 from lxml import etree
 from importlib.resources import path
 import configparser
 import os
 
+from mache.discover import discover_machine
+
 
 class MachineInfo:
     """
@@ -57,9 +57,11 @@ def __init__(self, machine=None):
             The name of an E3SM supported machine.  By default, the machine
             will be inferred from the host name
         """
+        if machine is None:
+            machine = discover_machine()
+            if machine is None:
+                raise ValueError('Unable to discover machine form host name')
         self.machine = machine
-        if self.machine is None:
-            self._discover_machine()
 
         self.config = self._get_config()
 
@@ -88,14 +90,16 @@ def __str__(self):
         """
 
         info = f'Machine: {self.machine}\n' \
-               f'E3SM Supported Machine? {self.e3sm_supported}'
+               f'  E3SM Supported Machine: {self.e3sm_supported}'
 
         if self.e3sm_supported:
             info = f'{info}\n' \
                    f'  Compilers: {", ".join(self.compilers)}\n' \
                    f'  MPI libraries: {", ".join(self.mpilibs)}\n' \
                    f'  OS: {self.os}'
 
+        info = f'{info}\n'
+
         print_unified = (self.e3sm_unified_activation is not None or
                          self.e3sm_unified_base is not None or
                          self.e3sm_unified_mpi is not None)
@@ -115,6 +119,7 @@ def __str__(self):
             if self.e3sm_unified_mpi is not None:
                 info = f'{info}\n' \
                        f'  MPI type: {self.e3sm_unified_mpi}'
+            info = f'{info}\n'
 
         print_diags = self.diagnostics_base is not None
         if print_diags:
@@ -124,7 +129,17 @@ def __str__(self):
             if self.diagnostics_base is not None:
                 info = f'{info}\n' \
                        f'  Base path: {self.diagnostics_base}'
+            info = f'{info}\n'
 
+        info = f'{info}\n' \
+               f'Config options:'
+        for section in self.config.sections():
+            info = f'{info}\n' \
+                   f'  [{section}]'
+            for key, value in self.config.items(section):
+                info = f'{info}\n' \
+                       f'    {key} = {value}'
+            info = f'{info}\n'
         return info
 
     def get_modules_and_mpi_compilers(self, compiler, mpilib):
@@ -253,34 +268,45 @@ def get_modules_and_mpi_compilers(self, compiler, mpilib):
 
         return mpicc, mpicxx, mpifc, mod_commands
 
-    def _discover_machine(self):
-        """ Figure out the machine from the host name """
-        if self.machine is not None:
-            return
-        hostname = socket.gethostname()
-        if hostname.startswith('acme1'):
-            machine = 'acme1'
-        elif hostname.startswith('andes'):
-            machine = 'andes'
-        elif hostname.startswith('blueslogin'):
-            machine = 'anvil'
-        elif hostname.startswith('ba-fe'):
-            machine = 'badger'
-        elif hostname.startswith('chrlogin'):
-            machine = 'chrysalis'
-        elif hostname.startswith('compy'):
-            machine = 'compy'
-        elif hostname.startswith('cooley'):
-            machine = 'cooley'
-        elif hostname.startswith('cori'):
-            warnings.warn('defaulting to cori-haswell.  Use -m cori-knl if you'
-                          ' wish to run on KNL.')
-            machine = 'cori-haswell'
-        elif hostname.startswith('gr-fe'):
-            machine = 'grizzly'
+    def get_account_defaults(self):
+        """
+        Get default account, partition and quality of service (QOS) for
+        this machine.
+
+        Returns
+        -------
+        account : str
+            The E3SM account on the machine
+
+        partition : str
+            The default partition on the machine, or ``None`` if no partition
+            should be specified
+
+        qos : str
+            The default quality of service on the machine, or ``None`` if no
+            QOS should be specified
+        """
+        config = self.config
+        if config.has_option('parallel', 'account'):
+            account = config.get('parallel', 'account')
         else:
-            raise ValueError('Unable to discover machine form host name')
-        self.machine = machine
+            account = None
+
+        if config.has_option('parallel', 'partitions'):
+            partition = config.get('parallel', 'partitions')
+            # take the first entry
+            partition = partition.split(',')[0].strip()
+        else:
+            partition = None
+
+        if config.has_option('parallel', 'qos'):
+            qos = config.get('parallel', 'qos')
+            # take the first entry
+            qos = qos.split(',')[0].strip()
+        else:
+            qos = None
+
+        return account, partition, qos
 
     def _get_config(self):
         """ get a parser for config options """
@@ -310,11 +336,13 @@ def _parse_compilers_and_mpi(self):
             machines = next(root.iter('config_machines'))
 
             mach = None
+            found = False
             for mach in machines:
                 if mach.tag == 'machine' and mach.attrib['MACH'] == machine:
+                    found = True
                     break
 
-            if mach is None:
+            if not found:
                 # this is not an E3SM supported machine, so we're done
                 self.e3sm_supported = False
                 return

mache/machines/acme1.cfg

@@ -16,3 +16,16 @@ base_path = /usr/local/e3sm_unified/envs
 
 # The base path to the diagnostics directory
 base_path = /space2/diagnostics
+
+
+# The parallel section describes options related to running jobs in parallel
+[parallel]
+
+# parallel system of execution: slurm, cobalt or single_node
+system = single_node
+
+# whether to use mpirun or srun to run a task
+parallel_executable = mpirun
+
+# cores per node on the machine
+cores_per_node = 192

mache/machines/andes.cfg

@@ -16,3 +16,22 @@ base_path = /ccs/proj/cli900/sw/rhea/e3sm-unified
 
 # The base path to the diagnostics directory
 base_path = /gpfs/alpine/proj-shared/cli115/diagnostics/
+
+
+# The parallel section describes options related to running jobs in parallel
+[parallel]
+
+# parallel system of execution: slurm, cobalt or single_node
+system = slurm
+
+# whether to use mpirun or srun to run a task
+parallel_executable = srun
+
+# cores per node on the machine
+cores_per_node = 32
+
+# account for running diagnostics jobs
+account = cli115
+
+# available partition(s) (default is the first)
+partitions = batch

mache/machines/anvil.cfg

@@ -21,4 +21,26 @@ base_path = /lcrc/soft/climate/e3sm-unified
 [diagnostics]
 
 # The base path to the diagnostics directory
-base_path = /lcrc/group/e3sm/diagnostics
+base_path = /lcrc/group/e3sm/diagnostics
+
+
+# The parallel section describes options related to running jobs in parallel
+[parallel]
+
+# parallel system of execution: slurm, cobalt or single_node
+system = slurm
+
+# whether to use mpirun or srun to run a task
+parallel_executable = srun
+
+# cores per node on the machine
+cores_per_node = 36
+
+# account for running diagnostics jobs
+account = condo
+
+# available partition(s) (default is the first)
+partitions = acme-small, acme-medium, acme-large
+
+# quality of service (default is the first)
+qos = regular, acme_high

mache/machines/badger.cfg

@@ -22,3 +22,22 @@ base_path = /turquoise/usr/projects/climate/SHARED_CLIMATE/anaconda_envs
 
 # The base path to the diagnostics directory
 base_path = /turquoise/usr/projects/climate/SHARED_CLIMATE/diagnostic
+
+
+# The parallel section describes options related to running jobs in parallel
+[parallel]
+
+# parallel system of execution: slurm, cobalt or single_node
+system = slurm
+
+# whether to use mpirun or srun to run a task
+parallel_executable = srun
+
+# cores per node on the machine
+cores_per_node = 36
+
+# account for running diagnostics jobs
+account = e3sm
+
+# quality of service (default is the first)
+qos = regular, interactive

mache/machines/chrysalis.cfg

@@ -21,4 +21,20 @@ base_path = /lcrc/soft/climate/e3sm-unified
 [diagnostics]
 
 # The base path to the diagnostics directory
-base_path = /lcrc/group/e3sm/diagnostics
+base_path = /lcrc/group/e3sm/diagnostics
+
+
+# The parallel section describes options related to running jobs in parallel
+[parallel]
+
+# parallel system of execution: slurm, cobalt or single_node
+system = slurm
+
+# whether to use mpirun or srun to run a task
+parallel_executable = srun
+
+# cores per node on the machine
+cores_per_node = 64
+
+# available partition(s) (default is the first)
+partitions = debug, compute, high