hpcflow 0.1.9__py3-none-any.whl → 0.2.0a271__py3-none-any.whl

hpcflow/data/examples/damask/inputs/load.load

@@ -1 +0,0 @@
-fdot 0.0001 0 0 0 * 0 0 0 * p * * * * 0 * * * 0 time 100 incs 100 

hpcflow/data/examples/damask/inputs/material.config

@@ -1,185 +0,0 @@
-#-------------------#
-<homogenization>
-#-------------------#
-[SX]
-type                          none
-
-#-------------------#
-<crystallite>
-#-------------------#
-[almostAll]
-(output)                      e
-(output)                      ee
-(output)                      eulerangles
-(output)                      f
-(output)                      fe
-(output)                      fp
-(output)                      grainrotation
-(output)                      lp
-(output)                      orientation
-(output)                      p
-(output)                      phase
-(output)                      texture
-(output)                      volume
-
-#-------------------#
-<phase>
-#-------------------#
-[Aluminium_phenopowerlaw]
-Nslip                         12
-Ntwin                         0
-a_slip                        2.25
-atol_resistance               1
-c11                           106.75e9
-c12                           60.41e9
-c44                           28.34e9
-elasticity                    hooke
-gdot0_slip                    0.001
-h0_slipslip                   75e6
-interaction_slipslip          1 1 1.4 1.4 1.4 1.4
-lattice_structure             fcc
-n_slip                        20
-plasticity                    phenopowerlaw
-tau0_slip                     31e6
-tausat_slip                   63e6
-(output)                      resistance_slip
-(output)                      resistance_twin
-(output)                      resolvedstress_slip
-(output)                      resolvedstress_twin
-(output)                      shearrate_slip
-(output)                      shearrate_twin
-(output)                      totalshear
-(output)                      totalvolfrac
-
-#-------------------#
-<Microstructure>
-#-------------------#
-[Grain01]
-crystallite 1
-(constituent) phase 1 texture 01 fraction 1.0
-[Grain02]
-crystallite 1
-(constituent) phase 1 texture 02 fraction 1.0
-[Grain03]
-crystallite 1
-(constituent) phase 1 texture 03 fraction 1.0
-[Grain04]
-crystallite 1
-(constituent) phase 1 texture 04 fraction 1.0
-[Grain05]
-crystallite 1
-(constituent) phase 1 texture 05 fraction 1.0
-[Grain06]
-crystallite 1
-(constituent) phase 1 texture 06 fraction 1.0
-[Grain07]
-crystallite 1
-(constituent) phase 1 texture 07 fraction 1.0
-[Grain08]
-crystallite 1
-(constituent) phase 1 texture 08 fraction 1.0
-[Grain09]
-crystallite 1
-(constituent) phase 1 texture 09 fraction 1.0
-[Grain10]
-crystallite 1
-(constituent) phase 1 texture 10 fraction 1.0
-[Grain11]
-crystallite 1
-(constituent) phase 1 texture 11 fraction 1.0
-[Grain12]
-crystallite 1
-(constituent) phase 1 texture 12 fraction 1.0
-[Grain13]
-crystallite 1
-(constituent) phase 1 texture 13 fraction 1.0
-[Grain14]
-crystallite 1
-(constituent) phase 1 texture 14 fraction 1.0
-[Grain15]
-crystallite 1
-(constituent) phase 1 texture 15 fraction 1.0
-[Grain16]
-crystallite 1
-(constituent) phase 1 texture 16 fraction 1.0
-[Grain17]
-crystallite 1
-(constituent) phase 1 texture 17 fraction 1.0
-[Grain18]
-crystallite 1
-(constituent) phase 1 texture 18 fraction 1.0
-[Grain19]
-crystallite 1
-(constituent) phase 1 texture 19 fraction 1.0
-[Grain20]
-crystallite 1
-(constituent) phase 1 texture 20 fraction 1.0
-[Grain21]
-crystallite 1
-(constituent) phase 1 texture 21 fraction 1.0
-[Grain22]
-crystallite 1
-(constituent) phase 1 texture 22 fraction 1.0
-[Grain23]
-crystallite 1
-(constituent) phase 1 texture 23 fraction 1.0
-[Grain24]
-crystallite 1
-(constituent) phase 1 texture 24 fraction 1.0
-[Grain25]
-crystallite 1
-(constituent) phase 1 texture 25 fraction 1.0
-
-#-------------------#
-<Texture>
-#-------------------#
-[Grain01]
-(gauss) phi1 129.2770 Phi 137.0130 phi2 300.4130 scatter 0.0 fraction 1.0
-[Grain02]
-(gauss) phi1 356.6480 Phi 104.6600 phi2 232.2710 scatter 0.0 fraction 1.0
-[Grain03]
-(gauss) phi1  99.1848 Phi  88.8519 phi2 181.9760 scatter 0.0 fraction 1.0
-[Grain04]
-(gauss) phi1 244.0830 Phi 126.6360 phi2  53.6494 scatter 0.0 fraction 1.0
-[Grain05]
-(gauss) phi1 164.8460 Phi 125.4190 phi2 109.2600 scatter 0.0 fraction 1.0
-[Grain06]
-(gauss) phi1 180.3420 Phi  96.1340 phi2 157.0620 scatter 0.0 fraction 1.0
-[Grain07]
-(gauss) phi1  50.3119 Phi  97.4199 phi2  69.0678 scatter 0.0 fraction 1.0
-[Grain08]
-(gauss) phi1   3.0704 Phi 147.3520 phi2  62.7382 scatter 0.0 fraction 1.0
-[Grain09]
-(gauss) phi1 301.4380 Phi 164.6900 phi2  38.1420 scatter 0.0 fraction 1.0
-[Grain10]
-(gauss) phi1 329.8170 Phi 137.0850 phi2 319.7750 scatter 0.0 fraction 1.0
-[Grain11]
-(gauss) phi1  64.5284 Phi  89.7006 phi2  44.1834 scatter 0.0 fraction 1.0
-[Grain12]
-(gauss) phi1 320.3650 Phi 131.3360 phi2 320.5380 scatter 0.0 fraction 1.0
-[Grain13]
-(gauss) phi1  71.1125 Phi 141.6790 phi2 314.5580 scatter 0.0 fraction 1.0
-[Grain14]
-(gauss) phi1  15.0620 Phi 121.9990 phi2 166.6420 scatter 0.0 fraction 1.0
-[Grain15]
-(gauss) phi1 255.4300 Phi  65.2774 phi2 243.1500 scatter 0.0 fraction 1.0
-[Grain16]
-(gauss) phi1 213.1890 Phi  67.6270 phi2 148.2380 scatter 0.0 fraction 1.0
-[Grain17]
-(gauss) phi1 106.1630 Phi  68.7213 phi2 329.5530 scatter 0.0 fraction 1.0
-[Grain18]
-(gauss) phi1 173.1230 Phi  85.6343 phi2 260.8520 scatter 0.0 fraction 1.0
-[Grain19]
-(gauss) phi1 166.0400 Phi  95.2007 phi2  99.8661 scatter 0.0 fraction 1.0
-[Grain20]
-(gauss) phi1  69.2722 Phi  70.2469 phi2 346.7160 scatter 0.0 fraction 1.0
-[Grain21]
-(gauss) phi1 323.5540 Phi  56.4937 phi2 288.6000 scatter 0.0 fraction 1.0
-[Grain22]
-(gauss) phi1  79.4661 Phi  61.9140 phi2 274.5430 scatter 0.0 fraction 1.0
-[Grain23]
-(gauss) phi1 186.6880 Phi 144.5970 phi2 359.3250 scatter 0.0 fraction 1.0
-[Grain24]
-(gauss) phi1 292.5500 Phi 113.6580 phi2 339.0080 scatter 0.0 fraction 1.0
-[Grain25]
-(gauss) phi1 181.4800 Phi  34.0980 phi2  91.2278 scatter 0.0 fraction 1.0

hpcflow/data/examples/damask/profiles/_variable_lookup.yml

@@ -1,21 +0,0 @@
-variable_templates:
-  file_name_full:
-    file_regex: '(.+\.<<arg>>)'
-    file_regex_group: 0
-    value_type: str
-    expected_multiplicity: 1
-  file_name_base:
-    file_regex: '(.+)\.<<arg>>'
-    file_regex_group: 0
-    value_type: str
-    expected_multiplicity: 1
-scopes:
-  damask:
-    variables_from_template:
-      geom_fn: [file_name_full, geom]
-      geom_base_fn: [file_name_base, geom]
-      load_fn: [file_name_full, load]
-      load_base_fn: [file_name_base, load]
-      spectral_fn: [file_name_full, spectralOut]
-      spectral_base_fn: [file_name_base, spectralOut]
-    variables: {}

hpcflow/data/examples/damask/profiles/damask.yml

@@ -1,4 +0,0 @@
-profile: default
-variable_scope: damask
-modules:
-  - apps/intel-17.0/damask/2.0.2

hpcflow/data/examples/damask/profiles/damask_process.yml

@@ -1,8 +0,0 @@
-profile: damask
-
-alternate_scratch: /tmp/users/mbdxqap3
-scheduler_options:
-  l: short
-archive:
-  name: rds
-  exclude: ['*.spectralOut']

hpcflow/data/examples/damask/profiles/damask_run.yml

@@ -1,5 +0,0 @@
-profile: damask
-alternate_scratch: /mnt/iusers01/cr01/mbdxqap3/damask_sims
-command_groups:
-  - commands:
-    - DAMASK_spectral -g <<geom_fn>> -l <<load_fn>>

hpcflow/data/examples/damask/profiles/default.yml

@@ -1,6 +0,0 @@
-pre_commands:
-  #- mkdir -p stdout
-
-options:
-  e: stdout/
-  o: stdout/

hpcflow/data/examples/thinking.yml

@@ -1,177 +0,0 @@
-profile: damask_process
-
-command_groups: # Each command groups corresponds to a jobscript, conditional on the previous?
-  # group 1:
-  - commands:
-      - postResults --cr "f,p" --co "totalshear" --split --separation "x,y,z" <<spectral_fn>>
-  # group 2:
-  - commands:
-      - addCauchy <<table_inc_fn>> 
-      - somethingFake <<spectral_fn>>
-      - addStrainTensors --logarithmic --left <<table_inc_fn>>
-      - addMises --stress "Cauchy" --strain "ln(V)" <<table_inc_fn>>
-    parallel: # parallel options can be specified at root level, or for each command group individually (will be resolved to be individual)
-      variables: true  # Split different variable values into separate (parallel) job array tasks? (must be independent)
-
-variables:
-
-  # Method A:
-  table_inc_fn:
-    data: [100, 80, 60, 40, 20]
-    value: 'postProc/<<spectral_base_fn>>_inc{:03d}.txt'
-
-
-"""
-
-------------
-
-# want to populate a dict of variable values.
-# only add a variable to the dict when all sub-variables are already in the dict.
-var_vals = {}
-
-# List all variables mentioned in the command group:
-vars = [table_inc_fn, spectral_fn]
-
-# For each variable, if it is a base variable, resolve and add to dict:
-var_vals = {
-  spectral_fn: ['geom_load.spectralOut'],   <--- NEW
-}
-
-# Remaining vars are compound:
-vars = [table_inc_fn]
-
-# For each compound var, list all dependent variables:
-sub_vars = [spectral_base_fn]
-
-# For each sub variable, it if is a base variable, resolve and add to dict:
-var_vals = {
-  spectral_fn: ['geom_load.spectralOut'],
-  spectral_base_fn: ['geom_load'],          <--- NEW
-}
-
-
-------------
-
-# want to populate a dict of variable values.
-# only add a variable to the dict when all sub-variables are already in the dict.
-var_vals = {}
-dep_map = {}
-
-# For each variables mentioned in the command group (table_inc_fn, spectral_fn):
-
-  # if it is a base variable, resolve and add to dict:
-  var_vals = {
-    'spectral_fn': ['geom_load.spectralOut'],   <--- NEW
-  }
-
-  # if it is a compound variable, add to the dependency map, along with the list
-  # of vars it depends on:
-  dep_map = {
-    'table_inc_fn': ['spectral_base_fn'],
-  }
-
-while (dep_map is not empty):
-
-  for each key in dep map:
-
-    for each val in list of var key depends on:
-
-      if it is a *resolved* var, add to var_vals and remove from dep map key list
-        if the key list is empty, remove key from dict, and add the key var to var vals
-      
-      if it is a compound var, add to dep map, along with list of vars it depends on
-
-
-
-# Dependency map:
-# { 'variable name': [list of 'parent' variables that are not yet resolved] }
-
-unresolved_dep_map = {
-  'spectral_base_fn': ['table_inc_fn', ],
-  'spectral_fn':      [],
-  'table_inc_fn':     [],
-}
-
-
-
-
-
-
-var_vals = {
-  spectral_base_fn: [],
-  table_inc_fn: [],
-  spectral_fn: [],
-}
-
-------------
-
-# Expand vars to include sub-variables that are included in any compound vars:
-vars = [table_inc_fn, spectral_fn, spectral_base_fn]
-
-var_dependencies = {
-  table_inc_fn: [spectral_base_fn,],
-  spectral_fn: [],
-}
-
-# Split into base variables and compound variables (which have other variables 
-# in their values). Include in the compouned vars a list of variables that are
-# included:
-base_vars = [spectral_fn]
-compound_vars = [(table_inc_fn, [spectral_base_fn])]
-
-comp_vars = {
-  spectral_base_fn: [table_inc_fn],
-}
-
-# Resolve all base_vars values and add to var_vals dict:
-
-var_vals = {
-  spectral_fn: ['geom_load.spectralOut'],
-}
-
-
-
-
-vals: [
-  ('geom_load', '100', 'geom_load.spectralOut'),
-  ('geom_load',  '80', 'geom_load.spectralOut'),
-  ('geom_load',  '60', 'geom_load.spectralOut'),
-  ('geom_load',  '40', 'geom_load.spectralOut'),
-  ('geom_load',  '20', 'geom_load.spectralOut'),
-]
-"""
-# ...which can then be formed into a bash loop in the js_cmd file, that accesses
-# a file for each variable:
-"""
-js1a_var1:
----------
-geom_load
-geom_load...
-
-js1a_var2:
----------
-100
-80...
-
-js1a_var3:
----------
-geom_load.spectralOut
-geom_load.spectralOut...
-
-js1a_cmd:
----------
-
-while true
-do
-    # Read command variables:
-    read -u3 table_inc_fn || break
-    read -u4 spectral_fn || break
-
-    # Execute the commands:
-    addCauchy ${table_inc_fn}
-    somethingFake ${spectral_fn}
-    addStrainTensors --logarithmic --left ${table_inc_fn}
-    addMises --stress Cauchy --strain ln(V) ${table_inc_fn}
-
-done <3 js1a_var1 <4 js1a_var2
-"""

hpcflow/errors.py

@@ -1,2 +0,0 @@
-class ConfigurationError(Exception):
-    'For malformed configuration files.'

hpcflow/init_db.py

@@ -1,37 +0,0 @@
-"""`hpcflow.init_db.py`"""
-
-from sqlalchemy import create_engine
-from sqlalchemy.orm import sessionmaker
-
-from hpcflow import base_db
-
-
-def init_db(project, check_exists=True):
-    """Get database Session.
-
-    Parameters
-    ----------
-    project : Project
-    check_exists : bool
-        If True, an exception is raised if the database does not exist. Default
-        is True. This allows us to distinguish between commands that require
-        the database to already exist and those that may create it (i.e.
-        `submit`).
-
-    """
-
-    engine = create_engine(project.db_uri, echo=False)
-
-    if check_exists:
-        try:
-            engine.connect()
-        except:
-            raise
-
-    # Ensure models are represented in the database (`hpcflow.models` must be
-    # in-scope):
-    base_db.Base.metadata.create_all(engine)
-    project.ensure_db_symlink()
-    Session = sessionmaker(bind=engine)
-
-    return Session