From a63ed738a46dcfa6a90a7becadaeab1b3ca05762 Mon Sep 17 00:00:00 2001 From: Harrison Nicholls Date: Wed, 30 Oct 2024 20:43:04 +0000 Subject: [PATCH 01/15] New config --- input/hd63433d.toml | 14 +-- input/trappist1c.toml | 240 ++++++++++++++++++++++++++++++++++++++++++ tools/grid_proteus.py | 4 +- 3 files changed, 249 insertions(+), 9 deletions(-) create mode 100644 input/trappist1c.toml diff --git a/input/hd63433d.toml b/input/hd63433d.toml index 53c78dd7..fa04096e 100644 --- a/input/hd63433d.toml +++ b/input/hd63433d.toml @@ -93,7 +93,7 @@ author = "Harrison Nicholls, Tim Lichtenberg" module = "mors" [star.mors] rot_pctle = 50.0 # rotation percentile - tracks = "baraffe" # evolution tracks: spada | baraffe + tracks = "spada" # evolution tracks: spada | baraffe age_now = 0.414 # Gyr, current age of star used for scaling spec = "stellar_spectra/Named/sun.txt" # stellar spectrum @@ -139,21 +139,21 @@ author = "Harrison Nicholls, Tim Lichtenberg" [atmos_clim.agni] p_top = 1.0e-5 # bar, top of atmosphere grid pressure - spectral_group = "Dayspring" # which gas opacities to include - spectral_bands = "16" # how many spectral bands? + spectral_group = "Honeyside" # which gas opacities to include + spectral_bands = "256" # how many spectral bands? num_levels = 55 # Number of atmospheric grid levels - chemistry = "eq" # "none" | "eq" + chemistry = "none" # "none" | "eq" surf_material = "greybody" # surface material file for scattering solution_atol = 2e-3 # solver absolute tolerance solution_rtol = 5e-2 # solver relative tolerance [atmos_clim.janus] - p_top = 1.0e-6 # bar, top of atmosphere grid pressure + p_top = 1.0e-5 # bar, top of atmosphere grid pressure spectral_group = "Honeyside" # which gas opacities to include spectral_bands = "256" # how many spectral bands? F_atm_bc = 0 # measure outgoing flux at: (0) TOA | (1) Surface - num_levels = 80 # Number of atmospheric grid levels - tropopause = "skin" # none | skin | dynamic + num_levels = 90 # Number of atmospheric grid levels + tropopause = "none" # none | skin | dynamic [atmos_clim.dummy] gamma = 0.7 # atmosphere opacity between 0 and 1 diff --git a/input/trappist1c.toml b/input/trappist1c.toml new file mode 100644 index 00000000..30fc8066 --- /dev/null +++ b/input/trappist1c.toml @@ -0,0 +1,240 @@ +# PROTEUS configuration file (version 2.0) + +# Root tables should be physical, with the exception of "params" +# Software related options should go within the appropriate physical table + +# The general structure is: +# [root] metadata +# [params] parameters for code execution, output files, time-stepping, convergence +# [star] stellar parameters, model selection +# [orbit] planetary orbital parameters +# [struct] planetary structure (mass, radius) +# [atmos] atmosphere parameters, model selection +# [escape] escape parameters, model selection +# [interior] magma ocean model selection and parameters +# [outgas] outgassing parameters (fO2) and included volatiles +# [delivery] initial volatile inventory, and delivery model selection + +# ---------------------------------------------------- +# Metadata +version = "2.0" +author = "Harrison Nicholls, Tim Lichtenberg" + +# ---------------------------------------------------- +# Parameters +[params] + # output files + [params.out] + path = "trappist1c" + logging = "INFO" + plot_mod = 5 # Plotting frequency, 0: wait until completion | n: every n iterations + plot_fmt = "png" # Plotting image file format, "png" or "pdf" recommended + + # time-stepping + [params.dt] + minimum = 3e2 # yr, minimum time-step + maximum = 1e7 # yr, maximum time-step + initial = 1e3 # yr, inital step size + starspec = 3e6 # yr, interval to re-calculate the stellar spectrum + starinst = 1e2 # yr, interval to re-calculate the instellation + method = "adaptive" # proportional | adaptive | maximum + + [params.dt.proportional] + propconst = 52.0 # Proportionality constant + + [params.dt.adaptive] + atol = 0.02 # Step size atol + rtol = 0.07 # Step size rtol + + # termination criteria + [params.stop] + + # required number of iterations + [params.stop.iters] + enabled = true + minimum = 3 + maximum = 9000 + + # required time constraints + [params.stop.time] + enabled = true + minimum = 1.0e3 # yr, model will certainly run to t > minimum + maximum = 4.567e+9 # yr, model will terminate when t > maximum + + # solidification + [params.stop.solid] + enabled = true + phi_crit = 0.005 # non-dim., model will terminate when global melt fraction < phi_crit + + # radiative equilibrium + [params.stop.radeqm] + enabled = true + F_crit = 0.1 # W m-2, model will terminate when |F_atm| < F_crit + + # steady state + [params.stop.steady] + enabled = true + F_crit = 1.8 # Maximum absolute value of F_atm allowed for convergence + dprel = 3.0e-10 # Percentage change in melt fraction over time (dp/p)/dt*100 + + [params.stop.escape] + enabled = true + mass_frac = 3e-4 # Stop when atm_mass < this frac of initial mass + + +# ---------------------------------------------------- +# Star +[star] + + # Physical parameters + mass = 0.1 # M_sun + age_ini = 0.100 # Gyr, model initialisation/start age + + module = "mors" + [star.mors] + rot_pctle = 50.0 # rotation percentile + tracks = "spada" # evolution tracks: spada | baraffe + age_now = 7.6 # Gyr, current age of star used for scaling + spec = "stellar_spectra/Named/trappist-1.txt" # stellar spectrum + + [star.dummy] + radius = 1.0 # R_sun + Teff = 5772.0 # K + +# Orbital system +[orbit] + semimajoraxis = 0.01580 # AU + eccentricity = 0.00654 # dimensionless + zenith_angle = 54.74 # degrees + s0_factor = 0.25 # dimensionless + + # No module specifically for tides / orbital dynamics + module = "none" + + +# Planetary structure - physics table +[struct] + mass = 1.308 # M_earth + radius = 1.097 # R_earth + corefrac = 0.55 # non-dim., radius fraction + + # No module for specifically for internal structure + module = "none" + +# Atmosphere - physics table +[atmos_clim] + prevent_warming = true # do not allow the planet to heat up + surface_d = 0.01 # m, conductive skin thickness + surface_k = 2.0 # W m-1 K-1, conductive skin thermal conductivity + cloud_enabled = false # enable water cloud radiative effects + cloud_alpha = 0.0 # condensate retention fraction (1 -> fully retained) + surf_state = "skin" # surface scheme: "mixed_layer" | "fixed" | "skin" + surf_greyalbedo = 0.2 # surface grey albedo + albedo_pl = 0.0 # Enforced Bond albedo (do not use with `rayleigh = true`) + rayleigh = true # Enable rayleigh scattering + tmp_minimum = 0.5 # temperature floor on solver + tmp_maximum = 5000.0 # temperature ceiling on solver + + module = "agni" # Which atmosphere module to use + + [atmos_clim.agni] + p_top = 1.0e-5 # bar, top of atmosphere grid pressure + spectral_group = "Honeyside" # which gas opacities to include + spectral_bands = "256" # how many spectral bands? + num_levels = 55 # Number of atmospheric grid levels + chemistry = "none" # "none" | "eq" + surf_material = "greybody" # surface material file for scattering + solution_atol = 2e-3 # solver absolute tolerance + solution_rtol = 5e-2 # solver relative tolerance + + [atmos_clim.janus] + p_top = 1.0e-5 # bar, top of atmosphere grid pressure + spectral_group = "Honeyside" # which gas opacities to include + spectral_bands = "256" # how many spectral bands? + F_atm_bc = 0 # measure outgoing flux at: (0) TOA | (1) Surface + num_levels = 90 # Number of atmospheric grid levels + tropopause = "none" # none | skin | dynamic + + [atmos_clim.dummy] + gamma = 0.7 # atmosphere opacity between 0 and 1 + +# Volatile escape - physics table +[escape] + + module = "none" # Which escape module to use + + [escape.zephyrus] + efficiency = 1.0 # Escape efficiency factor + tidal = false # Tidal contribution enabled + + [escape.dummy] + rate = 0.0 # Bulk unfractionated escape rate [kg s-1] + +# Interior - physics table +[interior] + grain_size = 0.1 # crystal settling grain size [m] + F_initial = 1e5 # Initial heat flux guess [W m-2] + + module = "spider" # Which interior module to use + + [interior.spider] + num_levels = 220 # Number of SPIDER grid levels + mixing_length = 2 # Mixing length parameterization + tolerance = 1.0e-10 # solver tolerance + tsurf_atol = 20.0 # tsurf_poststep_change + tsurf_rtol = 0.01 # tsurf_poststep_change_frac + ini_entropy = 3200.0 # Surface entropy conditions [J K-1 kg-1] + ini_dsdr = -4.698e-6 # Interior entropy gradient [J K-1 kg-1 m-1] + + [interior.aragog] + num_levels = 220 # Number of Aragog grid levels + tolerance = 1.0e-10 # solver tolerance + +# Outgassing - physics table +[outgas] + fO2_shift_IW = 2 # log10(ΔIW), atmosphere/interior boundary oxidation state + + module = "calliope" # Which outgassing module to use + + [outgas.calliope] + include_H2O = true # Include H2O compound + include_CO2 = true # Include CO2 compound + include_N2 = true # Include N2 compound + include_S2 = true # Include S2 compound + include_SO2 = true # Include SO2 compound + include_H2 = true # Include H2 compound + include_CH4 = true # Include CH4 compound + include_CO = true # Include CO compound + T_floor = 700.0 # Temperature floor applied to outgassing calculation [K]. + + [outgas.atmodeller] + some_parameter = "some_value" + +# Volatile delivery - physics table +[delivery] + + # [Settings here for accretion rate, etc.] + + # Which initial inventory to use? + initial = 'elements' # "elements" | "volatiles" + + # No module for accretion as of yet + module = "none" + + # Set initial volatile inventory by planetary element abundances + [delivery.elements] + CH_ratio = 1.0 # C/H ratio in mantle/atmosphere system + H_oceans = 8.0 # Hydrogen inventory in units of equivalent Earth oceans, by mass + N_ppmw = 2.01 # Nitrogen inventory in ppmw relative to mantle mass, by mass + S_ppmw = 235.0 # Sulfur inventory in ppmw relative to mass of melt + + # Set initial volatile inventory by partial pressures in atmosphere + [delivery.volatiles] + H2O = 0.0 # partial pressure of H2O + CO2 = 0.0 # partial pressure of CO2 + N2 = 0.0 # etc + S2 = 0.0 + SO2 = 0.0 + H2 = 0.0 + CH4 = 0.0 + CO = 0.0 diff --git a/tools/grid_proteus.py b/tools/grid_proteus.py index 6fb53328..5b4e7b0a 100755 --- a/tools/grid_proteus.py +++ b/tools/grid_proteus.py @@ -444,8 +444,8 @@ def _thread_target(cfg_path): # Define parameter grid # ----- - config = "nogit_trappist1b.toml" - folder = "trappist1b_oxfu" + config = "trappist1c.toml" + folder = "trappist1c_oxfu" cfg_base = os.path.join(os.getenv('PROTEUS_DIR'),"input",config) symlink = "/network/group/aopp/planetary/RTP035_NICHOLLS_PROTEUS/outputs/"+folder From df53c28b6c08474272e54c2f1346975ef334c370 Mon Sep 17 00:00:00 2001 From: Harrison Nicholls Date: Wed, 30 Oct 2024 20:45:02 +0000 Subject: [PATCH 02/15] Updated proteus version to 24.10.30 --- CITATION.cff | 4 ++-- pyproject.toml | 4 ++-- src/proteus/__init__.py | 2 +- src/proteus/utils/coupler.py | 7 +++++++ 4 files changed, 12 insertions(+), 5 deletions(-) diff --git a/CITATION.cff b/CITATION.cff index 939c60a3..69263414 100644 --- a/CITATION.cff +++ b/CITATION.cff @@ -32,7 +32,7 @@ authors: orcid: "https://orcid.org/0000-0002-0673-4860" title: "PROTEUS" -version: 24.07.25 +version: 24.10.30 doi: 10.xx/xx.xx -date-released: 2024-07-19 +date-released: 2024-10-30 url: "https://github.com/FormingWorlds/PROTEUS" diff --git a/pyproject.toml b/pyproject.toml index 074bd5a2..2497d56f 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -5,7 +5,7 @@ build-backend = "setuptools.build_meta" # https://packaging.python.org/en/latest/specifications/declaring-project-metadata/ [project] name = "fwl-proteus" -version = "24.07.25" +version = "24.10.30" description = "Coupled atmosphere-interior framework to simulate the temporal evolution of rocky planets" readme = "README.md" requires-python = ">=3.11" @@ -122,7 +122,7 @@ indent-style = "space" [tool.bumpversion] # https://callowayproject.github.io/bump-my-version/howtos/calver/ -current_version = "24.07.25" +current_version = "24.10.30" parse = """(?x) # Verbose mode (?P # The release part (?:[1-9][0-9])\\. # YY. diff --git a/src/proteus/__init__.py b/src/proteus/__init__.py index bc9ce196..050cb5b9 100644 --- a/src/proteus/__init__.py +++ b/src/proteus/__init__.py @@ -2,6 +2,6 @@ from .proteus import Proteus -__version__ = '24.07.25' +__version__ = '24.10.30' __all__ = ['Proteus'] diff --git a/src/proteus/utils/coupler.py b/src/proteus/utils/coupler.py index 574b9abe..20799d08 100644 --- a/src/proteus/utils/coupler.py +++ b/src/proteus/utils/coupler.py @@ -62,6 +62,13 @@ def GitRevision(dir:str) -> str: return hash +def PrintModuleConfiguration(config:Config): + ''' + Print the current module configuration, with versions. + ''' + + + def PrintCurrentState(hf_row:dict): ''' From ebb7fc078c61ab560be5d26da92ec9dc9bee5677 Mon Sep 17 00:00:00 2001 From: Harrison Nicholls Date: Wed, 30 Oct 2024 21:37:18 +0000 Subject: [PATCH 03/15] Print version info --- src/proteus/proteus.py | 31 ++++----- src/proteus/utils/coupler.py | 130 +++++++++++++++++++++++++++++++++-- 2 files changed, 139 insertions(+), 22 deletions(-) diff --git a/src/proteus/proteus.py b/src/proteus/proteus.py index fc53d5fb..d0029c64 100644 --- a/src/proteus/proteus.py +++ b/src/proteus/proteus.py @@ -34,7 +34,9 @@ CreateHelpfileFromDict, CreateLockFile, ExtendHelpfile, - GitRevision, + print_header, + print_module_configuration, + print_system_configuration, PrintCurrentState, ReadHelpfileFromCSV, SetDirectories, @@ -114,6 +116,8 @@ def start(self, *, resume: bool = False): If True, continue from previous simulation """ + # First things + start_time = datetime.now() UpdateStatusfile(self.directories, 0) # Clean output directory @@ -129,22 +133,15 @@ def start(self, *, resume: bool = False): setup_logger(logpath=logpath, logterm=True, level=self.config.params.out.logging) log = logging.getLogger("fwl."+__name__) - # Print information to logger - log.info(":::::::::::::::::::::::::::::::::::::::::::::::::::::::") - log.info(" PROTEUS framework (version 0.1) ") - log.info(":::::::::::::::::::::::::::::::::::::::::::::::::::::::") - log.info(" ") - start_time = datetime.now() - log.info("Current time: " + start_time.strftime("%Y-%m-%d_%H:%M:%S")) - log.info("Hostname : " + str(os.uname()[1])) - log.info("PROTEUS hash: " + GitRevision(self.directories["proteus"])) - log.info("Py version : " + sys.version.split(" ")[0]) - log.info("Config file : " + str(self.config_path)) - log.info("Output dir : " + self.directories["output"]) - log.info("FWL data dir: " + self.directories["fwl"]) - if self.config.atmos_clim.module in ['janus', 'agni']: - log.info("SOCRATES dir: " + self.directories["rad"]) - log.info(" ") + # Print header + print_header() + + # Print system configuration + print_system_configuration(self.directories) + + # Print module configuration + print_module_configuration(self.directories, self.config, self.config_path) + PrintHalfSeparator() # Count iterations self.loops = { diff --git a/src/proteus/utils/coupler.py b/src/proteus/utils/coupler.py index 20799d08..dfda377d 100644 --- a/src/proteus/utils/coupler.py +++ b/src/proteus/utils/coupler.py @@ -45,8 +45,13 @@ log = logging.getLogger("fwl."+__name__) +def _get_current_time(): + ''' + Get the current system time as a formatted string. + ''' + return str(datetime.now().strftime('%Y-%m-%d %H:%M:%S %Z')) -def GitRevision(dir:str) -> str: +def _get_git_revision(dir:str) -> str: ''' Get git hash for repository in `dir`. ''' @@ -62,20 +67,135 @@ def GitRevision(dir:str) -> str: return hash -def PrintModuleConfiguration(config:Config): +def _get_socrates_version(): ''' - Print the current module configuration, with versions. + Get the installed SOCRATES version. + ''' + verpath = os.path.join(os.environ.get("RAD_DIR"),"version") + with open(verpath, 'r') as hdl: + ver = hdl.read().replace("\n","") + return str(ver) + +def _get_spider_version(): + ''' + Get the installed SPIDER version. + ''' + + # This is the only one that we use, and it won't be updated in the future. + return "0.2.0" + +def _get_agni_version(dirs:dict): + ''' + Get the installed AGNI version ''' + from tomllib import load as tomlload + with open(os.path.join(dirs["agni"],"Project.toml"),'rb') as hdl: + agni_meta = tomlload(hdl) + return agni_meta["version"] - +def print_system_configuration(dirs:dict): + ''' + Print the current system configuration. + ''' + import sys + import pwd + + # Try to get the login name using os.getlogin() + try: + username = os.getlogin() + except OSError: + username = pwd.getpwuid(os.getuid()).pw_name + + log.info("Current time: " + _get_current_time()) + log.info("Python version: " + sys.version.split(" ")[0]) + log.info("System hostname: " + str(os.uname()[1])) + log.info("System username: " + str(username)) + log.info("FWL data path: " + dirs["fwl"]) + log.info(" ") + +def print_module_configuration(dirs:dict, config:Config, config_path:str): + ''' + Print the current module configuration, with versions. + ''' + + # PROTEUS + from proteus import __version__ as proteus_version + log.info("PROTEUS version: " + proteus_version) + log.info("PROTEUS git hash: " + _get_git_revision(dirs["proteus"])) + log.info("Config file: " + str(config_path)) + log.info("Output path: " + dirs["output"]) + log.info(" ") + + # Interior module + log.info("Interior module: '%s'" % config.interior.module) + match config.interior.module: + case 'spider': + log.info("\tSPIDER version: " + _get_spider_version()) + case 'aragog': + from aragog import __version__ as aragog_version + log.info("\tAragog version: " + aragog_version) + log.info(" ") + + # Structure module + log.info("Structure module: '%s'" % config.struct.module) + log.info(" ") + + # Atmosphere module + log.info("Atmos_clim module: '%s'" % config.atmos_clim.module) + match config.atmos_clim.module: + case 'janus': + from janus import __version__ as janus_version + log.info("\tJANUS version: " + janus_version) + case 'agni': + log.info("\tAGNI version: " + _get_agni_version(dirs)) + if config.atmos_clim.module in ['janus', 'agni']: + log.info("\tSOCRATES path: " + dirs["rad"]) + log.info("\tSOCRATES version: " + _get_socrates_version()) + log.info(" ") + + # Outgassing module + log.info("Outgas module: '%s'" % config.outgas.module) + if config.outgas.module == 'calliope': + from calliope import __version__ as calliope_version + log.info("\tCALLIOPE version: " + calliope_version) + log.info(" ") + + # Escape module + log.info("Escape module: '%s'" % config.escape.module) + log.info(" ") + + # Star module + log.info("Star module: '%s'" % config.star.module) + if config.star.module == 'mors': + from mors import __version__ as mors_version + log.info("\tMORS version: " + mors_version) + log.info(" ") + + # Orbit module + log.info("Orbit module: '%s'" % config.orbit.module) + log.info(" ") + + # Delivery module + log.info("Delivery module: '%s'" % config.delivery.module) + log.info(" ") + + + + +def print_header(): + log.info(":::::::::::::::::::::::::::::::::::::::::::::::::::::::") + log.info(" PROTEUS framework ") + log.info(" by Forming Worlds ") + log.info(":::::::::::::::::::::::::::::::::::::::::::::::::::::::") + log.info(" ") def PrintCurrentState(hf_row:dict): ''' Print the current state of the model to the logger ''' log.info("Runtime info...") - log.info(" System time : %s " % str(datetime.now().strftime('%Y-%m-%d_%H-%M-%S'))) + log.info(" System time : %s " % _get_current_time()) log.info(" Model time : %.2e yr" % float(hf_row["Time"])) log.info(" T_surf : %4.3f K" % float(hf_row["T_surf"])) log.info(" T_magma : %4.3f K" % float(hf_row["T_magma"])) From 9ab77b3c444718ef9ba9d9fd64a1cbbf96882326 Mon Sep 17 00:00:00 2001 From: Harrison Nicholls Date: Wed, 30 Oct 2024 21:47:24 +0000 Subject: [PATCH 04/15] Moved SPIDER environment stuff into spider.py --- PROTEUS.env | 16 ---------------- input/default.toml | 4 ++-- src/proteus/interior/spider.py | 15 ++++++++++++--- 3 files changed, 14 insertions(+), 21 deletions(-) diff --git a/PROTEUS.env b/PROTEUS.env index 7cdad162..02c2ff8b 100755 --- a/PROTEUS.env +++ b/PROTEUS.env @@ -25,19 +25,3 @@ if [ -z $RAD_DIR ]; then fi fi echo "RAD_DIR=$RAD_DIR" - -# Spider -export SPIDER_DIR=$PROTEUS_DIR/SPIDER -export PETSC_DIR=$PROTEUS_DIR/petsc -export PATH=$SPIDER_DIR:$PATH -export PATH=$SPIDER_DIR/py3:$PATH -export PYTHONPATH=$SPIDER_DIR/py3:$PYTHONPATH -export PYTHONPATH=$PROTEUS_DIR/sciath:$PYTHONPATH - -if [[ "$OSTYPE" == "linux-gnu"* ]]; then - export PETSC_ARCH=arch-linux-c-opt -elif [[ "$OSTYPE" == "darwin"* ]]; then - export PETSC_ARCH=arch-darwin-c-opt -else - echo "ERROR: Unknown OS type '$OSTYPE' " -fi diff --git a/input/default.toml b/input/default.toml index 0c5c8239..190f4d55 100644 --- a/input/default.toml +++ b/input/default.toml @@ -93,7 +93,7 @@ author = "Harrison Nicholls, Tim Lichtenberg" module = "mors" [star.mors] rot_pctle = 50.0 # rotation percentile - tracks = "spada" # evolution tracks: spada | baraffe + tracks = "baraffe" # evolution tracks: spada | baraffe age_now = 4.567 # Gyr, current age of star used for scaling spec = "stellar_spectra/Named/sun.txt" # stellar spectrum @@ -137,7 +137,7 @@ author = "Harrison Nicholls, Tim Lichtenberg" tmp_minimum = 0.5 # temperature floor on solver tmp_maximum = 5000.0 # temperature ceiling on solver - module = "janus" # Which atmosphere module to use + module = "dummy" # Which atmosphere module to use [atmos_clim.agni] p_top = 1.0e-5 # bar, top of atmosphere grid pressure diff --git a/src/proteus/interior/spider.py b/src/proteus/interior/spider.py index beb0faa2..4fe019d0 100644 --- a/src/proteus/interior/spider.py +++ b/src/proteus/interior/spider.py @@ -7,6 +7,7 @@ import os import shutil import subprocess +import platform import sys from typing import TYPE_CHECKING @@ -169,7 +170,7 @@ def _try_spider( dirs:dict, config:Config, # Check that SPIDER can be found spider_exec = os.path.join(dirs["spider"],"spider") if not os.path.isfile(spider_exec): - raise Exception("SPIDER executable could not be found at '%s'"%spider_exec) + raise FileNotFoundError("SPIDER executable could not be found at '%s'"%spider_exec) # Bounds on tolereances step_sf = min(1.0, max(1.0e-10, step_sf)) @@ -265,12 +266,20 @@ def _try_spider( dirs:dict, config:Config, call_string = " ".join(call_sequence) + # Environment + spider_env = os.environ.copy() + if platform.system() == "Darwin": + spider_env["PETSC_ARCH"] = "arch-darwin-c-opt" + else: + spider_env["PETSC_ARCH"] = "arch-linux-c-opt" + spider_env["PETSC_DIR"] = os.path.join(dirs["proteus"], "petsc") + # Run SPIDER - log.info("Terminal output suppressed") + log.debug("SPIDER output suppressed") spider_print = open(dirs["output"]+"spider_recent.log",'w') spider_print.write(call_string+"\n") spider_print.flush() - proc = subprocess.run([call_string],shell=True,stdout=spider_print) + proc = subprocess.run([call_string],shell=True,stdout=spider_print, env=spider_env) spider_print.close() # Check status From 550ed68dc109fc68e9f9a193c2eac05b8d4b5d14 Mon Sep 17 00:00:00 2001 From: Harrison Nicholls Date: Wed, 30 Oct 2024 22:02:17 +0000 Subject: [PATCH 05/15] Formatting of system info --- src/proteus/utils/coupler.py | 64 ++++++++++++++++++------------------ 1 file changed, 32 insertions(+), 32 deletions(-) diff --git a/src/proteus/utils/coupler.py b/src/proteus/utils/coupler.py index dfda377d..e48dc158 100644 --- a/src/proteus/utils/coupler.py +++ b/src/proteus/utils/coupler.py @@ -100,6 +100,7 @@ def print_system_configuration(dirs:dict): ''' import sys import pwd + import platform # Try to get the login name using os.getlogin() try: @@ -107,11 +108,12 @@ def print_system_configuration(dirs:dict): except OSError: username = pwd.getpwuid(os.getuid()).pw_name - log.info("Current time: " + _get_current_time()) - log.info("Python version: " + sys.version.split(" ")[0]) - log.info("System hostname: " + str(os.uname()[1])) - log.info("System username: " + str(username)) - log.info("FWL data path: " + dirs["fwl"]) + log.info("Current time " + _get_current_time()) + log.info("Python version " + sys.version.split(" ")[0]) + log.info("System hostname " + str(os.uname()[1])) + log.info("System username " + str(username)) + log.info("Platform type " + str(platform.system())) + log.info("FWL data path " + dirs["fwl"]) log.info(" ") def print_module_configuration(dirs:dict, config:Config, config_path:str): @@ -121,63 +123,61 @@ def print_module_configuration(dirs:dict, config:Config, config_path:str): # PROTEUS from proteus import __version__ as proteus_version - log.info("PROTEUS version: " + proteus_version) - log.info("PROTEUS git hash: " + _get_git_revision(dirs["proteus"])) - log.info("Config file: " + str(config_path)) - log.info("Output path: " + dirs["output"]) + log.info("PROTEUS version " + proteus_version) + log.info("PROTEUS git hash " + _get_git_revision(dirs["proteus"])) + log.info("Config file " + str(config_path)) + log.info("Output path " + dirs["output"]) log.info(" ") # Interior module - log.info("Interior module: '%s'" % config.interior.module) + write = "Interior module %s" % config.interior.module match config.interior.module: case 'spider': - log.info("\tSPIDER version: " + _get_spider_version()) + write += " version " + _get_spider_version() case 'aragog': from aragog import __version__ as aragog_version - log.info("\tAragog version: " + aragog_version) - log.info(" ") + write += " version " + aragog_version + log.info(write) # Structure module - log.info("Structure module: '%s'" % config.struct.module) - log.info(" ") + log.info("Structure module %s" % config.struct.module) # Atmosphere module - log.info("Atmos_clim module: '%s'" % config.atmos_clim.module) + write = "Atmos_clim module %s" % config.atmos_clim.module match config.atmos_clim.module: case 'janus': from janus import __version__ as janus_version - log.info("\tJANUS version: " + janus_version) + write += " version " + janus_version case 'agni': - log.info("\tAGNI version: " + _get_agni_version(dirs)) + write += " version " + _get_agni_version(dirs) + log.info(write) if config.atmos_clim.module in ['janus', 'agni']: - log.info("\tSOCRATES path: " + dirs["rad"]) - log.info("\tSOCRATES version: " + _get_socrates_version()) - log.info(" ") + log.info(" - SOCRATES version %s at %s" %(_get_socrates_version(), dirs["rad"])) # Outgassing module - log.info("Outgas module: '%s'" % config.outgas.module) + write = "Outgas module %s" % config.outgas.module if config.outgas.module == 'calliope': from calliope import __version__ as calliope_version - log.info("\tCALLIOPE version: " + calliope_version) - log.info(" ") + write += " version " + calliope_version + log.info(write) # Escape module - log.info("Escape module: '%s'" % config.escape.module) - log.info(" ") + log.info("Escape module %s" % config.escape.module) # Star module - log.info("Star module: '%s'" % config.star.module) + write = "Star module %s" % config.star.module if config.star.module == 'mors': from mors import __version__ as mors_version - log.info("\tMORS version: " + mors_version) - log.info(" ") + write += " version " + mors_version + log.info(write) # Orbit module - log.info("Orbit module: '%s'" % config.orbit.module) - log.info(" ") + log.info("Orbit module %s" % config.orbit.module) # Delivery module - log.info("Delivery module: '%s'" % config.delivery.module) + log.info("Delivery module %s" % config.delivery.module) + + # End spacer log.info(" ") From a5522e9a92e57f7dac7da0c82820e6ed4fe427cf Mon Sep 17 00:00:00 2001 From: Harrison Nicholls Date: Thu, 31 Oct 2024 10:23:03 +0000 Subject: [PATCH 06/15] Removed dependence on PROTEUS.env --- PROTEUS.env | 27 -- examples/dummy_aragog/init_coupler.toml | 179 +++++++++++++ examples/dummy_aragog/plot_elements.pdf | Bin 0 -> 33975 bytes examples/dummy_aragog/plot_escape.png | Bin 0 -> 37487 bytes examples/dummy_aragog/plot_global_log.png | Bin 0 -> 156213 bytes examples/dummy_aragog/plot_interior.png | Bin 0 -> 117514 bytes examples/dummy_aragog/proteus_00.log | 286 +++++++++++++++++++++ examples/dummy_aragog/runtime_helpfile.csv | 6 + examples/dummy_aragog/status | 2 + input/aragog.toml | 6 +- input/default.toml | 2 +- src/proteus/utils/coupler.py | 1 + src/proteus/utils/helper.py | 13 +- tools/grid_proteus.py | 7 +- tools/make_example.sh | 37 ++- tools/postprocess.jl | 9 +- tools/postprocess_grid.jl | 12 +- tools/run_proteus.sh | 70 ----- 18 files changed, 520 insertions(+), 137 deletions(-) delete mode 100755 PROTEUS.env create mode 100644 examples/dummy_aragog/init_coupler.toml create mode 100644 examples/dummy_aragog/plot_elements.pdf create mode 100644 examples/dummy_aragog/plot_escape.png create mode 100644 examples/dummy_aragog/plot_global_log.png create mode 100644 examples/dummy_aragog/plot_interior.png create mode 100644 examples/dummy_aragog/proteus_00.log create mode 100644 examples/dummy_aragog/runtime_helpfile.csv create mode 100644 examples/dummy_aragog/status delete mode 100755 tools/run_proteus.sh diff --git a/PROTEUS.env b/PROTEUS.env deleted file mode 100755 index 02c2ff8b..00000000 --- a/PROTEUS.env +++ /dev/null @@ -1,27 +0,0 @@ -# Get this file path -if [ -n "$BASH_SOURCE" ]; then - this_script=$BASH_SOURCE -elif [ -n "$ZSH_VERSION" ]; then - setopt function_argzero - this_script=$0 -elif eval '[[ -n ${.sh.file} ]]' 2>/dev/null; then - eval 'this_script=${.sh.file}' -else - echo 1>&2 "Unsupported shell. Please use bash, ksh93 or zsh." - exit 2 -fi - -# Proteus -export PROTEUS_DIR="$( dirname "$(readlink -f -- "$this_script")" )" -echo "PROTEUS_DIR = $PROTEUS_DIR" - -# Check if SOCRATES setup -if [ -z $RAD_DIR ]; then - if [ -d $SOC_DIR ] && [ -f $SOC_DIR/set_rad_env ]; then - # found socrates => set path - export RAD_DIR=$SOC_DIR - else - echo "WARNING: The variable RAD_DIR has not been set" - fi -fi -echo "RAD_DIR=$RAD_DIR" diff --git a/examples/dummy_aragog/init_coupler.toml b/examples/dummy_aragog/init_coupler.toml new file mode 100644 index 00000000..7947fa60 --- /dev/null +++ b/examples/dummy_aragog/init_coupler.toml @@ -0,0 +1,179 @@ +version = "2.0" +author = "Harrison Nicholls, Tim Lichtenberg" + +[params.out] +path = "dummy_aragog" +logging = "INFO" +plot_mod = 1 +plot_fmt = "png" + +[params.dt] +minimum = 100.0 +maximum = 30000000.0 +initial = 100.0 +starspec = 1000000000.0 +starinst = 10.0 +method = "adaptive" + +[params.dt.proportional] +propconst = 52.0 + +[params.dt.adaptive] +atol = 0.02 +rtol = 0.11 + +[params.stop.iters] +enabled = true +minimum = 3 +maximum = 9000 + +[params.stop.time] +enabled = true +minimum = 1000.0 +maximum = 4567000000.0 + +[params.stop.solid] +enabled = false +phi_crit = 0.005 + +[params.stop.radeqm] +enabled = false +F_crit = 0.2 + +[params.stop.steady] +enabled = false +F_crit = 0.8 +dprel = 1e-09 + +[params.stop.escape] +enabled = true +mass_frac = 0.0003 + +[star] +mass = 1.0 +age_ini = 0.1 +module = "dummy" + +[star.mors] +rot_pctle = 50.0 +tracks = "baraffe" +age_now = 4.567 +spec = "stellar_spectra/Named/sun.txt" + +[star.dummy] +radius = 1.0 +Teff = 5772.0 + +[orbit] +semimajoraxis = 1.0 +eccentricity = 0.0 +zenith_angle = 48.19 +s0_factor = 0.375 +module = "none" + +[struct] +mass = 1.0 +radius = 1.0 +corefrac = 0.55 +module = "none" + +[atmos_clim] +prevent_warming = true +surface_d = 0.01 +surface_k = 2.0 +cloud_enabled = false +cloud_alpha = 0.0 +surf_state = "fixed" +surf_greyalbedo = 0.1 +albedo_pl = 0.0 +rayleigh = true +tmp_minimum = 0.5 +tmp_maximum = 5000.0 +module = "dummy" + +[atmos_clim.agni] +p_top = 1e-05 +spectral_group = "Frostflow" +spectral_bands = "48" +surf_material = "greybody" +num_levels = 40 +chemistry = "none" +solution_atol = 0.001 +solution_rtol = 0.02 + +[atmos_clim.janus] +p_top = 1e-06 +spectral_group = "Frostflow" +spectral_bands = "16" +F_atm_bc = 0 +num_levels = 40 +tropopause = "none" + +[atmos_clim.dummy] +gamma = 0.8 + +[escape] +module = "dummy" + +[escape.zephyrus] +efficiency = 1.0 +tidal = false + +[escape.dummy] +rate = 20000.0 + +[interior] +grain_size = 0.1 +F_initial = 1000000.0 +module = "aragog" + +[interior.spider] +num_levels = 220 +mixing_length = 2 +tolerance = 1e-10 +tsurf_atol = 30.0 +tsurf_rtol = 0.02 +ini_entropy = 2700.0 +ini_dsdr = -4.698e-06 + +[interior.aragog] +num_levels = 100 +tolerance = 1e-07 + +[outgas] +fO2_shift_IW = 2.0 +module = "calliope" + +[outgas.calliope] +T_floor = 700.0 +include_H2O = true +include_CO2 = true +include_N2 = true +include_S2 = true +include_SO2 = true +include_H2 = true +include_CH4 = true +include_CO = true + +[outgas.atmodeller] +some_parameter = "some_value" + +[delivery] +initial = "elements" +module = "none" + +[delivery.elements] +CH_ratio = 1.0 +H_oceans = 6.0 +N_ppmw = 2.0 +S_ppmw = 200.0 + +[delivery.volatiles] +H2O = 0.0 +CO2 = 0.0 +N2 = 0.0 +S2 = 0.0 +SO2 = 0.0 +H2 = 0.0 +CH4 = 0.0 +CO = 0.0 diff --git a/examples/dummy_aragog/plot_elements.pdf b/examples/dummy_aragog/plot_elements.pdf new file mode 100644 index 0000000000000000000000000000000000000000..2f6b86219ee92ec5a179a7a43aa2d3324db6cada GIT binary patch literal 33975 zcmd?S2Uyi-wl#hdM@=;9BvFi5Na8{1L=X@Wu*7oc(mNK4G*PN_jWI?M(L)ny7K(HP z0qK@l=t`A(RGNT-f`HWXU;CKcGT+R-Gq-*Bd;ar0GlOvW)%V?d?X}k4oYB(Qy=Vdd z0tSPzh_&ZOZ3g2{@eIbCJD<(Nce>V=i{by|U3VI~>Nr`udhB<$VyN$TJ>uZx>R@}| zTX!pG7h9*p(h~9#Qexj8a&qUd=)a#F ze&VLYVEoKv{kTo{Sk&uw&r4x?Gs`B zwQ<{Fh)i#5tPc#h_^b`zE 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- exit 0 -fi From f4caf2a0e695fbe54da93f8f90fb74c3b7b7cb45 Mon Sep 17 00:00:00 2001 From: Harrison Nicholls Date: Thu, 31 Oct 2024 10:23:27 +0000 Subject: [PATCH 07/15] Removed aragog example --- examples/dummy_aragog/init_coupler.toml | 179 ------------- examples/dummy_aragog/plot_elements.pdf | Bin 33975 -> 0 bytes examples/dummy_aragog/plot_escape.png | Bin 37487 -> 0 bytes examples/dummy_aragog/plot_global_log.png | Bin 156213 -> 0 bytes examples/dummy_aragog/plot_interior.png | Bin 117514 -> 0 bytes examples/dummy_aragog/proteus_00.log | 286 --------------------- examples/dummy_aragog/runtime_helpfile.csv | 6 - examples/dummy_aragog/status | 2 - 8 files changed, 473 deletions(-) delete mode 100644 examples/dummy_aragog/init_coupler.toml delete mode 100644 examples/dummy_aragog/plot_elements.pdf delete mode 100644 examples/dummy_aragog/plot_escape.png delete mode 100644 examples/dummy_aragog/plot_global_log.png delete mode 100644 examples/dummy_aragog/plot_interior.png delete mode 100644 examples/dummy_aragog/proteus_00.log delete mode 100644 examples/dummy_aragog/runtime_helpfile.csv delete mode 100644 examples/dummy_aragog/status diff --git a/examples/dummy_aragog/init_coupler.toml b/examples/dummy_aragog/init_coupler.toml deleted file mode 100644 index 7947fa60..00000000 --- a/examples/dummy_aragog/init_coupler.toml +++ /dev/null @@ -1,179 +0,0 @@ -version = "2.0" -author = "Harrison Nicholls, Tim Lichtenberg" - -[params.out] -path = "dummy_aragog" -logging = "INFO" -plot_mod = 1 -plot_fmt = "png" - -[params.dt] -minimum = 100.0 -maximum = 30000000.0 -initial = 100.0 -starspec = 1000000000.0 -starinst = 10.0 -method = "adaptive" - -[params.dt.proportional] -propconst = 52.0 - -[params.dt.adaptive] -atol = 0.02 -rtol = 0.11 - -[params.stop.iters] -enabled = true -minimum = 3 -maximum = 9000 - -[params.stop.time] -enabled = true -minimum = 1000.0 -maximum = 4567000000.0 - -[params.stop.solid] -enabled = false -phi_crit = 0.005 - -[params.stop.radeqm] -enabled = false -F_crit = 0.2 - -[params.stop.steady] -enabled = false -F_crit = 0.8 -dprel = 1e-09 - -[params.stop.escape] -enabled = true -mass_frac = 0.0003 - -[star] -mass = 1.0 -age_ini = 0.1 -module = "dummy" - -[star.mors] -rot_pctle = 50.0 -tracks = "baraffe" -age_now = 4.567 -spec = "stellar_spectra/Named/sun.txt" - -[star.dummy] -radius = 1.0 -Teff = 5772.0 - -[orbit] -semimajoraxis = 1.0 -eccentricity = 0.0 -zenith_angle = 48.19 -s0_factor = 0.375 -module = "none" - -[struct] -mass = 1.0 -radius = 1.0 -corefrac = 0.55 -module = "none" - -[atmos_clim] -prevent_warming = true -surface_d = 0.01 -surface_k = 2.0 -cloud_enabled = false -cloud_alpha = 0.0 -surf_state = "fixed" -surf_greyalbedo = 0.1 -albedo_pl = 0.0 -rayleigh = true -tmp_minimum = 0.5 -tmp_maximum = 5000.0 -module = "dummy" - -[atmos_clim.agni] -p_top = 1e-05 -spectral_group = "Frostflow" -spectral_bands = "48" -surf_material = "greybody" -num_levels = 40 -chemistry = "none" -solution_atol = 0.001 -solution_rtol = 0.02 - -[atmos_clim.janus] -p_top = 1e-06 -spectral_group = "Frostflow" -spectral_bands = "16" -F_atm_bc = 0 -num_levels = 40 -tropopause = "none" - -[atmos_clim.dummy] -gamma = 0.8 - -[escape] -module = "dummy" - -[escape.zephyrus] -efficiency = 1.0 -tidal = false - -[escape.dummy] -rate = 20000.0 - -[interior] -grain_size = 0.1 -F_initial = 1000000.0 -module = "aragog" - -[interior.spider] -num_levels = 220 -mixing_length = 2 -tolerance = 1e-10 -tsurf_atol = 30.0 -tsurf_rtol = 0.02 -ini_entropy = 2700.0 -ini_dsdr = -4.698e-06 - -[interior.aragog] -num_levels = 100 -tolerance = 1e-07 - -[outgas] -fO2_shift_IW = 2.0 -module = "calliope" - -[outgas.calliope] -T_floor = 700.0 -include_H2O = true -include_CO2 = true -include_N2 = true -include_S2 = true -include_SO2 = true -include_H2 = true -include_CH4 = true -include_CO = true - -[outgas.atmodeller] -some_parameter = "some_value" - -[delivery] -initial = "elements" -module = "none" - -[delivery.elements] -CH_ratio = 1.0 -H_oceans = 6.0 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z+xpJu-uhZnlG6L7G>iSYsp$a)Zmld_O*ChW;3mFcUdPie2N^pn>;|XNpp-iTRrd@w zN`kLo#LPQ_8s#Mq3IBAx~x}|{<)vlVyc($YyO^S9q zco?70V*?iS-a3z4q#SUJYW79Pnftx0mhh{-E*tdRc=$zwI0vdCRc!WysYmyj#~y{` zAVqH~!{(>Q&FwyDibxUw;}ZsB*%S0G49tCm-ZGhlybP&gZSG6yABJR*;aXI0?|gaT zBMidSV27xv%`Mu3x|&F*^p}iJd;hW4Nv#IyXm!}1%Zu@8417HoESWSB=E|{v Date: Thu, 31 Oct 2024 10:30:36 +0000 Subject: [PATCH 08/15] Removed environment variables elsewhere --- .github/workflows/tests.yaml | 1 - docs/installation.md | 7 ------- tools/get_petsc.sh | 33 +++++++++++++++------------------ tools/get_spider.sh | 23 ++++++++++++++++------- 4 files changed, 31 insertions(+), 33 deletions(-) diff --git a/.github/workflows/tests.yaml b/.github/workflows/tests.yaml index 7a12816c..d0eb83be 100644 --- a/.github/workflows/tests.yaml +++ b/.github/workflows/tests.yaml @@ -64,7 +64,6 @@ jobs: - name: Test with pytest run: | - source PROTEUS.env coverage run -m pytest - name: Upload PNG plots as artifacts diff --git a/docs/installation.md b/docs/installation.md index 821817f4..72ee94bf 100644 --- a/docs/installation.md +++ b/docs/installation.md @@ -139,13 +139,6 @@ You will need to setup Python (>=3.10) on your system. This can be done via brew - The variable `RAD_DIR` must point to the SOCRATES installation path. It is best to add this to your shell rc file. - - Setup other variables - - ```console - source PROTEUS.env - ``` - This file can also be added to your shell rc file. - 9. Setup interior evolution model (**SPIDER**) ```console diff --git a/tools/get_petsc.sh b/tools/get_petsc.sh index d33e6b70..6cf15ffa 100755 --- a/tools/get_petsc.sh +++ b/tools/get_petsc.sh @@ -5,11 +5,22 @@ set -e # Output path -workpath="petsc" -if [ -n "$1" ]; then - workpath=$1 +workpath=$(realpath petsc) # petsc doesn't like relative paths + +# Set environment +if [[ "$OSTYPE" == "linux-gnu"* ]]; then + export PETSC_ARCH=arch-linux-c-opt +elif [[ "$OSTYPE" == "darwin"* ]]; then + export PETSC_ARCH=arch-darwin-c-opt +else + echo "ERROR: Unknown OS type '$OSTYPE' " + exit 1 fi -workpath=$(realpath $workpath) # petsc doesn't like relative paths +export PETSC_DIR=$workpath + +echo "Set PETSC_DIR=$PETSC_DIR" +echo "Set PETSC_ARCH=$PETSC_ARCH" + rm -rf $workpath mkdir $workpath @@ -26,20 +37,6 @@ echo "Decompressing" unzip -qq $zip -d $workpath rm $zip -# Set environment -if [[ "$OSTYPE" == "linux-gnu"* ]]; then - export PETSC_ARCH=arch-linux-c-opt -elif [[ "$OSTYPE" == "darwin"* ]]; then - export PETSC_ARCH=arch-darwin-c-opt -else - echo "ERROR: Unknown OS type '$OSTYPE' " - exit 1 -fi -export PETSC_DIR=$workpath - -echo "Set PETSC_DIR=$PETSC_DIR" -echo "Set PETSC_ARCH=$PETSC_ARCH" - # Change dir olddir=$(pwd) cd $workpath diff --git a/tools/get_spider.sh b/tools/get_spider.sh index 9e9ddb15..ac0a23de 100755 --- a/tools/get_spider.sh +++ b/tools/get_spider.sh @@ -5,15 +5,24 @@ set -e # Check environment -if [ -z $PETSC_ARCH ]; then - echo "ERROR: You need to set PETSC_ARCH before compiling SPIDER" - exit 1 -fi -if [ -z $PETSC_DIR ]; then - echo "ERROR: You need to set PETSC_DIR before compiling SPIDER" - exit 1 +if [[ "$OSTYPE" == "linux-gnu"* ]]; then + PETSC_ARCH=arch-linux-c-opt +elif [[ "$OSTYPE" == "darwin"* ]]; then + PETSC_ARCH=arch-darwin-c-opt +else + echo "ERROR: Unknown OS type '$OSTYPE' " fi +# PETSc install folder +PETSC_DIR=$(realpath petsc) + +# Export if needed +export PETSC_ARCH +export PETSC_DIR + +echo "Using PETSC_DIR=$PETSC_DIR" +echo "Using PETSC_ARCH=$PETSC_ARCH" + # Output path workpath="SPIDER" if [ -n "$1" ]; then From a1ff01aaf3e796294705663fc8b4e6b6f863bae9 Mon Sep 17 00:00:00 2001 From: Harrison Nicholls Date: Thu, 31 Oct 2024 11:15:00 +0000 Subject: [PATCH 09/15] Print module info --- input/hd63433d.toml | 2 +- src/proteus/proteus.py | 17 +++++++++-------- src/proteus/star/wrapper.py | 2 +- src/proteus/utils/coupler.py | 19 +++++++++++++++++-- 4 files changed, 28 insertions(+), 12 deletions(-) diff --git a/input/hd63433d.toml b/input/hd63433d.toml index fa04096e..43f8f10b 100644 --- a/input/hd63433d.toml +++ b/input/hd63433d.toml @@ -90,7 +90,7 @@ author = "Harrison Nicholls, Tim Lichtenberg" mass = 0.99 # M_sun age_ini = 0.100 # Gyr, model initialisation/start age - module = "mors" + module = "dummy" [star.mors] rot_pctle = 50.0 # rotation percentile tracks = "spada" # evolution tracks: spada | baraffe diff --git a/src/proteus/proteus.py b/src/proteus/proteus.py index d0029c64..5c62c6df 100644 --- a/src/proteus/proteus.py +++ b/src/proteus/proteus.py @@ -186,17 +186,11 @@ def start(self, *, resume: bool = False): ) # Store partial pressures and list of included volatiles - log.info("Input partial pressures:") inc_gases = [] for s in vol_list: pp_val = self.config.delivery.volatiles.get_pressure(s) include = self.config.outgas.calliope.is_included(s) - log.info( - " %-6s : %-5.2f bar (included = %s)" - % (s, pp_val, include) - ) - if include: inc_gases.append(s) self.hf_row[s + "_bar"] = max(1.0e-30, float(pp_val)) @@ -205,8 +199,15 @@ def start(self, *, resume: bool = False): for s in vap_list: inc_gases.append(s) self.hf_row[s + "_bar"] = 0.0 - log.info("Included gases: " + str(inc_gases)) + # Inform user + log.info("Initial inventory set by '%s'"%self.config.delivery.initial) + log.info("Included gases") + for s in inc_gases: + log.info(" %s %-8s : %6.2f bar" % + ("vapour " if s in vap_list else "volatile", s, + self.hf_row[s + "_bar"]) + ) else: # Resuming from disk log.info("Resuming the simulation from the disk") @@ -227,7 +228,7 @@ def start(self, *, resume: bool = False): # Set loop counters self.loops["total"] = len(self.hf_all) self.loops["init"] = self.loops["init_loops"] + 1 - + log.info(" ") # Create lockfile for keeping simulation running self.lockfile = CreateLockFile(self.directories["output"]) diff --git a/src/proteus/star/wrapper.py b/src/proteus/star/wrapper.py index ced2b5a5..5a58a274 100644 --- a/src/proteus/star/wrapper.py +++ b/src/proteus/star/wrapper.py @@ -21,7 +21,7 @@ def init_star(handler:Proteus): Star-related things to be done when the simulation begins. ''' - log.debug("Prepare stellar models") + log.info("Preparing stellar model") # Path to the modern spectrum # i.e. that observed by a telescope, or derived from various observations. diff --git a/src/proteus/utils/coupler.py b/src/proteus/utils/coupler.py index 9f0e99de..60d03212 100644 --- a/src/proteus/utils/coupler.py +++ b/src/proteus/utils/coupler.py @@ -84,6 +84,14 @@ def _get_spider_version(): # This is the only one that we use, and it won't be updated in the future. return "0.2.0" +def _get_petsc_version(): + ''' + Get the installed PETSc version. + ''' + + # Like SPIDER, this is the only one that we use + return "1.3.19.0" + def _get_agni_version(dirs:dict): ''' Get the installed AGNI version @@ -93,6 +101,11 @@ def _get_agni_version(dirs:dict): agni_meta = tomlload(hdl) return agni_meta["version"] +def _get_julia_version(): + ''' + Get the installed Julia version + ''' + return subprocess.check_output(["julia","--version"]).decode("utf-8").split()[-1] def print_system_configuration(dirs:dict): ''' @@ -139,6 +152,8 @@ def print_module_configuration(dirs:dict, config:Config, config_path:str): from aragog import __version__ as aragog_version write += " version " + aragog_version log.info(write) + if config.interior.module == "spider": + log.info(" - PETSc version " + _get_petsc_version()) # Structure module log.info("Structure module %s" % config.struct.module) @@ -154,6 +169,8 @@ def print_module_configuration(dirs:dict, config:Config, config_path:str): log.info(write) if config.atmos_clim.module in ['janus', 'agni']: log.info(" - SOCRATES version %s at %s" %(_get_socrates_version(), dirs["rad"])) + if config.atmos_clim.module == 'agni': + log.info(" - Julia version " + _get_julia_version()) # Outgassing module write = "Outgas module %s" % config.outgas.module @@ -182,8 +199,6 @@ def print_module_configuration(dirs:dict, config:Config, config_path:str): log.info(" ") - - def print_header(): log.info(":::::::::::::::::::::::::::::::::::::::::::::::::::::::") log.info(" PROTEUS framework ") From b26064ab6d754f94d5909041c4588539510c950b Mon Sep 17 00:00:00 2001 From: Harrison Nicholls Date: Thu, 31 Oct 2024 11:25:55 +0000 Subject: [PATCH 10/15] Documentation --- docs/installation.md | 14 +++++++------- 1 file changed, 7 insertions(+), 7 deletions(-) diff --git a/docs/installation.md b/docs/installation.md index 72ee94bf..69a5c1bf 100644 --- a/docs/installation.md +++ b/docs/installation.md @@ -127,7 +127,13 @@ You will need to setup Python (>=3.10) on your system. This can be done via brew ./tools/get_petsc.sh ``` -8. Setup PROTEUS coupled framework +8. Setup interior evolution model (**SPIDER**) + + ```console + ./tools/get_spider.sh + ``` + +9. Setup PROTEUS coupled framework 1. Get the remaining Python dependencies @@ -139,12 +145,6 @@ You will need to setup Python (>=3.10) on your system. This can be done via brew - The variable `RAD_DIR` must point to the SOCRATES installation path. It is best to add this to your shell rc file. -9. Setup interior evolution model (**SPIDER**) - - ```console - ./tools/get_spider.sh - ``` - 10. Done! 🚀 Any remaining dependencies will be downloaded when the model is first run. From a609de8046fa16f809a17d113f186db76db400f8 Mon Sep 17 00:00:00 2001 From: Harrison Nicholls Date: Thu, 31 Oct 2024 11:35:26 +0000 Subject: [PATCH 11/15] Updated default params --- input/default.toml | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/input/default.toml b/input/default.toml index a1c43bb6..c8b9dff4 100644 --- a/input/default.toml +++ b/input/default.toml @@ -26,8 +26,8 @@ author = "Harrison Nicholls, Tim Lichtenberg" # output files [params.out] path = "default" - logging = "DEBUG" - plot_mod = 1 # Plotting frequency, 0: wait until completion | n: every n iterations + logging = "INFO" + plot_mod = 2 # Plotting frequency, 0: wait until completion | n: every n iterations plot_fmt = "pdf" # Plotting image file format, "png" or "pdf" recommended # time-stepping @@ -93,7 +93,7 @@ author = "Harrison Nicholls, Tim Lichtenberg" module = "mors" [star.mors] rot_pctle = 50.0 # rotation percentile - tracks = "baraffe" # evolution tracks: spada | baraffe + tracks = "spada" # evolution tracks: spada | baraffe age_now = 4.567 # Gyr, current age of star used for scaling spec = "stellar_spectra/Named/sun.txt" # stellar spectrum From 26edc5c15063fdb943950745ee3f09648079f730 Mon Sep 17 00:00:00 2001 From: Harrison Nicholls Date: Thu, 31 Oct 2024 11:43:39 +0000 Subject: [PATCH 12/15] Linting --- src/proteus/config/_atmos_clim.py | 2 +- src/proteus/interior/aragog.py | 2 +- src/proteus/interior/spider.py | 2 +- src/proteus/proteus.py | 7 +++---- src/proteus/utils/coupler.py | 4 ++-- src/proteus/utils/helper.py | 15 +++++++++++---- 6 files changed, 19 insertions(+), 13 deletions(-) diff --git a/src/proteus/config/_atmos_clim.py b/src/proteus/config/_atmos_clim.py index 266cb4a3..bc7a59f9 100644 --- a/src/proteus/config/_atmos_clim.py +++ b/src/proteus/config/_atmos_clim.py @@ -16,7 +16,7 @@ def tmp_max_bigger_than_tmp_min(instance, attribute, value): def warn_if_dummy(instance, attribute, value): - if instance.module == 'dummy': + if (instance.module == 'dummy') and value: log.warning('Rayleigh scattering is enabled but it will be neglected') diff --git a/src/proteus/interior/aragog.py b/src/proteus/interior/aragog.py index f0926c4b..5fcc6669 100644 --- a/src/proteus/interior/aragog.py +++ b/src/proteus/interior/aragog.py @@ -9,6 +9,7 @@ import netCDF4 as nc import numpy as np import pandas as pd + from aragog import Output, Solver from aragog.parser import ( Parameters, @@ -22,7 +23,6 @@ _ScalingsParameters, _SolverParameters, ) - from proteus.interior.timestep import next_step from proteus.utils.constants import R_earth, secs_per_year diff --git a/src/proteus/interior/spider.py b/src/proteus/interior/spider.py index 4fe019d0..d6334d81 100644 --- a/src/proteus/interior/spider.py +++ b/src/proteus/interior/spider.py @@ -5,9 +5,9 @@ import json import logging import os +import platform import shutil import subprocess -import platform import sys from typing import TYPE_CHECKING diff --git a/src/proteus/proteus.py b/src/proteus/proteus.py index 5c62c6df..3bb8dc0d 100644 --- a/src/proteus/proteus.py +++ b/src/proteus/proteus.py @@ -2,7 +2,6 @@ import logging import os -import sys from datetime import datetime from pathlib import Path @@ -34,15 +33,15 @@ CreateHelpfileFromDict, CreateLockFile, ExtendHelpfile, - print_header, - print_module_configuration, - print_system_configuration, PrintCurrentState, ReadHelpfileFromCSV, SetDirectories, UpdatePlots, WriteHelpfileToCSV, ZeroHelpfileRow, + print_header, + print_module_configuration, + print_system_configuration, ) from proteus.utils.data import download_sufficient_data from proteus.utils.helper import ( diff --git a/src/proteus/utils/coupler.py b/src/proteus/utils/coupler.py index 60d03212..cba57f0a 100644 --- a/src/proteus/utils/coupler.py +++ b/src/proteus/utils/coupler.py @@ -111,9 +111,9 @@ def print_system_configuration(dirs:dict): ''' Print the current system configuration. ''' - import sys - import pwd import platform + import pwd + import sys # Try to get the login name using os.getlogin() try: diff --git a/src/proteus/utils/helper.py b/src/proteus/utils/helper.py index fdfc989d..5c243151 100644 --- a/src/proteus/utils/helper.py +++ b/src/proteus/utils/helper.py @@ -14,15 +14,22 @@ def get_proteus_dir(): ''' - Get path to PROTEUS directory. This is the directory containing `pyproject.toml`. + Get absolute path to PROTEUS directory. + + This should be a directory containing `pyproject.toml`. ''' - # This file is in `PROTEUS/src/proteus/utils/` + # Assuming that this file is in `PROTEUS/src/proteus/utils/` utils = os.path.dirname(os.path.abspath(__file__)) # Work upwards from utils - root = os.path.join(utils,"..","..","..") - return os.path.abspath(root) + root = os.path.abspath(os.path.join(utils,"..","..","..")) + + # Check that this path is reasonable + if "pyproject.toml" not in os.listdir(root): + raise EnvironmentError(f"Cannot locate PROTEUS directory. Tried '{root}' ") + + return root def PrintSeparator(): log.info("===================================================") From e0e88de2d57599bdf1dc8bb50af6e5481583f3d4 Mon Sep 17 00:00:00 2001 From: Harrison Nicholls Date: Thu, 31 Oct 2024 11:47:25 +0000 Subject: [PATCH 13/15] Linting --- src/proteus/interior/aragog.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/proteus/interior/aragog.py b/src/proteus/interior/aragog.py index 5fcc6669..f0926c4b 100644 --- a/src/proteus/interior/aragog.py +++ b/src/proteus/interior/aragog.py @@ -9,7 +9,6 @@ import netCDF4 as nc import numpy as np import pandas as pd - from aragog import Output, Solver from aragog.parser import ( Parameters, @@ -23,6 +22,7 @@ _ScalingsParameters, _SolverParameters, ) + from proteus.interior.timestep import next_step from proteus.utils.constants import R_earth, secs_per_year From fc5705f6859fcbd75c7a59b8bde4ac611fdbe0a1 Mon Sep 17 00:00:00 2001 From: Harrison Nicholls Date: Thu, 31 Oct 2024 12:06:13 +0000 Subject: [PATCH 14/15] Fix warning in atmos_clim config validator --- input/aragog.toml | 4 ++-- src/proteus/config/_atmos_clim.py | 2 +- 2 files changed, 3 insertions(+), 3 deletions(-) diff --git a/input/aragog.toml b/input/aragog.toml index 3cc1e486..321c0911 100644 --- a/input/aragog.toml +++ b/input/aragog.toml @@ -123,7 +123,7 @@ author = "Harrison Nicholls, Tim Lichtenberg" # Atmosphere - physics table [atmos_clim] - prevent_warming = true # do not allow the planet to heat up + prevent_warming = false # do not allow the planet to heat up surface_d = 0.01 # m, conductive skin thickness surface_k = 2.0 # W m-1 K-1, conductive skin thermal conductivity cloud_enabled = false # enable water cloud radiative effects @@ -131,7 +131,7 @@ author = "Harrison Nicholls, Tim Lichtenberg" surf_state = "fixed" # surface scheme: "mixed_layer" | "fixed" | "skin" surf_greyalbedo = 0.1 # surface grey albedo albedo_pl = 0.0 # Bond albedo (scattering) - rayleigh = true # enable rayleigh scattering + rayleigh = false # enable rayleigh scattering tmp_minimum = 0.5 # temperature floor on solver tmp_maximum = 5000.0 # temperature ceiling on solver diff --git a/src/proteus/config/_atmos_clim.py b/src/proteus/config/_atmos_clim.py index bc7a59f9..72d98d84 100644 --- a/src/proteus/config/_atmos_clim.py +++ b/src/proteus/config/_atmos_clim.py @@ -17,7 +17,7 @@ def tmp_max_bigger_than_tmp_min(instance, attribute, value): def warn_if_dummy(instance, attribute, value): if (instance.module == 'dummy') and value: - log.warning('Rayleigh scattering is enabled but it will be neglected') + raise ValueError('Dummy atmos_clim module is incompatible with Rayleigh scattering') @define From 5965239bb836b29430f10d69ae42771510b9be4e Mon Sep 17 00:00:00 2001 From: Harrison Nicholls Date: Thu, 31 Oct 2024 12:10:45 +0000 Subject: [PATCH 15/15] Fix dummy test config file --- tests/data/integration/dummy/dummy.toml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/tests/data/integration/dummy/dummy.toml b/tests/data/integration/dummy/dummy.toml index 4a9add14..2f5b61d6 100644 --- a/tests/data/integration/dummy/dummy.toml +++ b/tests/data/integration/dummy/dummy.toml @@ -131,7 +131,7 @@ author = "Harrison Nicholls, Tim Lichtenberg" surf_state = "fixed" # surface scheme: "mixed_layer" | "fixed" | "skin" surf_greyalbedo = 0.1 # path to file ("string") or grey quantity (float) albedo_pl = 0.1 # Bond albedo (scattering) - rayleigh = true # enable rayleigh scattering + rayleigh = false # enable rayleigh scattering tmp_minimum = 0.5 # temperature floor on solver tmp_maximum = 5000.0 # temperature ceiling on solver