from django.template.defaultfilters import capfirst
from pyqcg.utils import TaskStatus
-from qcg.fields import PredefinedChoiceField, MultiplePredefinedChoiceField
-from qcg.models import Task, Allocation
+from qcg.fields import TimeRangeField
+from qcg.models import Task, Allocation, JobTemplate
date_range_validator = RegexValidator(r'[0-9]{2}\.[0-9]{2}\.[0-9]{4} - [0-9]{2}\.[0-9]{2}\.[0-9]{4}')
-nodes_validator = RegexValidator(r'^[0-9]{1,3}(:[0-9]{1,2}){0,2}$')
+nodes_validator = RegexValidator(r'^[0-9]{1,3}:[0-9]{1,2}(:[0-9]{1,2})?$')
env_name_validator = RegexValidator(r'^[a-zA-Z_][a-zA-Z0-9_]*$')
CHOICES_PLACEHOLDER = (None, '')
}
STATUS_CHOICES_DICT = dict(STATUS_CHOICES)
+ keywords = forms.CharField(max_length=100, label=u"Wyszukaj frazę", required=False)
status = forms.MultipleChoiceField(choices=STATUS_CHOICES, label=u"Status", required=False,
widget=forms.CheckboxSelectMultiple)
- host = forms.MultipleChoiceField(label=u"Host", required=False, widget=forms.CheckboxSelectMultiple)
# advanced
- keywords = forms.CharField(max_length=100, label=u"Wyszukaj frazę", required=False)
+ host = forms.MultipleChoiceField(label=u"Host", required=False, widget=forms.CheckboxSelectMultiple)
+ purged = forms.TypedChoiceField(label=u"Istniejący katalog roboczy?", required=False, coerce=lambda x: bool(int(x)),
+ choices=((0, 'Tak'), (1, 'Nie')), widget=forms.RadioSelect)
submission = forms.CharField(label=u"Data zlecenia", validators=[date_range_validator], required=False)
finish = forms.CharField(label=u"Data zakończenia", validators=[date_range_validator], required=False)
class JobDescriptionForm(forms.Form):
- class Host(object):
- GALERA = 'galera.task.gda.pl'
- HYDRA = 'hydra.icm.edu.pl'
- INULA = 'inula.man.poznan.pl'
- MOSS = 'moss.man.poznan.pl'
- NOVA = 'nova.wcss.wroc.pl'
- REEF = 'reef.man.poznan.pl'
- ZEUS = 'zeus.cyfronet.pl'
+ class Process(object):
+ NONE = ''
+ CMD = 'c'
+ SCRIPT = 's'
CHOICES = (
- CHOICES_PLACEHOLDER,
- (GALERA, u'Galera'),
- (HYDRA, u'Hydra'),
- (INULA, u'Inula'),
- (MOSS, u'Moss'),
- (NOVA, u'Supernova'),
- (REEF, u'Reef'),
- (ZEUS, u'Zeus'),
+ (NONE, u'Brak'),
+ (CMD, u'Polecenie'),
+ (SCRIPT, u'Skrypt'),
)
+
+
APPLICATION_CHOICES = (
CHOICES_PLACEHOLDER,
- ('bash', 'BASH'),
- ('python', 'Python'),
- ('matlab', 'MATLAB'),
+ ('unres-gab', 'UNRES GAB'),
+ ('unres-e0ll2y', 'UNRES E0LL2Y'),
)
+
+
QUEUE_CHOICES = (
CHOICES_PLACEHOLDER,
- ('plgid', 'plgrid'),
- ('plgid-long', 'plgrid-long'),
- ('plgid-testing', 'plgrid-testing'),
- )
- MODULES_CHOICES = (
- ('plgrid/apps/python', 'plgrid/apps/python'),
- ('plgrid/apps/matlab', 'plgrid/apps/matlab'),
+ ('plgrid', 'plgrid'),
+ ('plgrid-long', 'plgrid-long'),
+ ('plgrid-testing', 'plgrid-testing'),
)
- NOTIFY_CHOICES = (
- (0, u'Brak'),
- (1, u'E-mail'),
- (2, u'XMPP'),
+
+ PROTOCOL_CHOICES = (
+ ('', u'Brak'),
+ ('mailto', u'E-mail'),
+ ('xmpp', u'XMPP'),
)
- PROCESS_CHOICES = (
- (0, u'Brak'),
- (1, u'Polecenie'),
- (2, u'Skrypt'),
+
+
+ FORCE_FIELD_CHOICES = (
+ ('GAB', u'GAB'),
+ ('E0LL2Y', u'E0LL2Y'),
)
- application = forms.ChoiceField(choices=APPLICATION_CHOICES, label=u"Aplikacja", required=False) # TODO choices
- executable = forms.CharField(label=u"Polecenie", max_length=500, required=False) # TODO grid ftp
- arguments = forms.CharField(label=u"Argumenty", max_length=1000, required=False)
+ nstep = forms.IntegerField(label=u"NSTEP", help_text=u"Liczba kroków w trajektorii", min_value=1, initial=500000, required=False)
+ ntwe = forms.IntegerField(label=u"NTWE", help_text=u"Częstość zapisu energii w krokach", min_value=0, initial=100, required=False)
+ ntwx = forms.IntegerField(label=u"NTWX", help_text=u"Częstość zapisu współrzędnych w krokach", min_value=0, initial=1000, required=False)
+ dt = forms.DecimalField(label=u"DT", help_text=u"Krok czasowy. Wartość kroku równa jedności to 48.9 fs", max_digits=5, decimal_places=2, min_value=0.01, initial=0.1, required=False)
+ damax = forms.DecimalField(label=u"DAMAX", help_text=u"Maksymalna dopuszczalna zmiana przyspieszenia podczas jednego kroku czasowego", max_digits=5, decimal_places=2, min_value=0.01, initial=1.0, required=False)
+ force_field = forms.ChoiceField(choices=FORCE_FIELD_CHOICES, label=u"Pole siłowe", required=False, initial='GAB')
+
+ pdb_file = forms.CharField(label=u"Plik PDB", max_length=500, required=False)
+ #retmin = forms.IntegerField(label=u"RETMIN", help_text=u"Dolny zakres temparatur dla wymiany replik", min_value=2, initial=250, required=False)
+ #retmax = forms.IntegerField(label=u"RETMAX", help_text=u"Górny zakres temperatur dla wymiany replik", min_value=2, initial=450, required=False)
+ sequence = forms.CharField(label=u"Sekwencja", help_text=u"Sekwencja aminokwasów w zapisie jednoliterowym", widget=forms.Textarea(attrs={'rows': 2, 'cols': 40}), required=False)
+
+
+ application = forms.ChoiceField(choices=APPLICATION_CHOICES, label=u"Aplikacja", required=False, initial='unres-gab')
+ #master_file = forms.CharField(label=u"Plik główny", max_length=500, required=False)
- name = forms.CharField(label=u"Nazwa", max_length=100, required=False)
- note = forms.CharField(label=u"Notatka", widget=forms.Textarea(attrs={'rows': 2, 'cols': 40}), required=False)
+ executable = forms.CharField(label=u"Plik wykonywalny", max_length=500, required=False)
+ script = forms.CharField(label=u"Skrypt", widget=forms.Textarea(attrs={'rows': 2, 'cols': 40}), required=False)
+ arguments = forms.MultipleChoiceField(label=u"Argumenty", required=False)
+ note = forms.CharField(label=u"Opis", widget=forms.Textarea(attrs={'rows': 2, 'cols': 40}), required=False)
grant = forms.CharField(label=u"Grant", max_length=100, required=False)
- host = forms.ChoiceField(label=u"Host", choices=Host.CHOICES, required=False)
- queue = PredefinedChoiceField(choices=QUEUE_CHOICES, label=u"Kolejka", required=False)
+ hosts = forms.MultipleChoiceField(label=u"Host", required=False)
+ properties = forms.CharField(label=u"Właściwości węzłów", required=False)
+ queue = forms.ChoiceField(choices=QUEUE_CHOICES, label=u"Kolejka", required=False)
procs = forms.IntegerField(label=u"Liczba procesów", min_value=0, required=False)
nodes = forms.CharField(label=u"Topologia węzłów", max_length=10, validators=[nodes_validator], required=False)
- wall_time = forms.IntegerField(label=u"Wall time (s)", min_value=0, required=False) # TODO duration field
+ wall_time = TimeRangeField(label=u"Wall time", required=False)
memory = forms.IntegerField(label=u"Pamięć (MB)", min_value=0, required=False)
memory_per_slot = forms.IntegerField(label=u"Pamięci per proces (MB)", min_value=0, required=False)
+ modules = forms.MultipleChoiceField(label=u"Moduły", required=False)
+ reservation = forms.CharField(label=u"Rezerwacja", max_length=100, required=False)
- # TODO grid ftp
input = forms.CharField(label=u"Standardowe wejście", max_length=500, required=False)
- output = forms.CharField(label=u"Standardowe wyjście", max_length=500, required=False)
- error = forms.CharField(label=u"Standardowe wyjście błędów", max_length=500, required=False)
- stage_in = forms.CharField(label=u"Stage in", max_length=500, required=False)
- stage_out = forms.CharField(label=u"Stage out", max_length=500, required=False)
-
- properties = MultiplePredefinedChoiceField(label=u"Właściwości węzłów", required=False)
- modules = forms.MultipleChoiceField(label=u"Moduły", choices=MODULES_CHOICES, required=False) # TODO choices
-
- not_after = forms.DateTimeField(label=u"Nie później niż", required=False)
- not_before = forms.DateTimeField(label=u"Nie wcześniej niż", required=False)
- deadline = forms.IntegerField(label=u"Deadline (s)", min_value=0, required=False) # TODO duration field
- reservation = forms.CharField(label=u"Rezerwacja", max_length=100, required=False)
+ stage_in = forms.MultipleChoiceField(label=u"Stage in", required=False)
monitoring = forms.BooleanField(label=u"Portal QCG-Monitoring", required=False)
- notify_type = forms.ChoiceField(label=u"Monitorowanie stanu", choices=NOTIFY_CHOICES, required=False, initial=0,
+ notify_type = forms.ChoiceField(label=u"Monitorowanie stanu", choices=PROTOCOL_CHOICES, required=False, initial='',
widget=forms.RadioSelect)
notify_address = forms.EmailField(label=u"Adres", required=False)
- watch_output_type = forms.ChoiceField(label=u"Monitorowanie wyjścia", choices=NOTIFY_CHOICES, required=False,
- initial=0, widget=forms.RadioSelect)
+ watch_output_type = forms.ChoiceField(label=u"Monitorowanie wyjścia", choices=PROTOCOL_CHOICES, required=False,
+ initial='', widget=forms.RadioSelect)
watch_output_address = forms.EmailField(label=u"Adres", required=False)
watch_output_pattern = forms.CharField(label=u"Wzorzec", max_length=500, required=False)
- preprocess_type = forms.ChoiceField(label=u"Preprocessing", choices=PROCESS_CHOICES, required=False, initial=0,
- widget=forms.RadioSelect)
+ preprocess_type = forms.ChoiceField(label=u"Preprocessing", choices=Process.CHOICES, required=False,
+ initial=Process.NONE, widget=forms.RadioSelect)
preprocess_cmd = forms.CharField(label=u"Polecenie", max_length=1000, required=False)
- preprocess_script = forms.CharField(label=u"Skrypt", max_length=500, required=False) # TODO grid ftp
- postprocess_type = forms.ChoiceField(label=u"Postprocessing", choices=PROCESS_CHOICES, required=False, initial=0,
- widget=forms.RadioSelect)
+ preprocess_script = forms.CharField(label=u"Skrypt", max_length=500, required=False)
+ postprocess_type = forms.ChoiceField(label=u"Postprocessing", choices=Process.CHOICES, required=False,
+ initial=Process.NONE, widget=forms.RadioSelect)
postprocess_cmd = forms.CharField(label=u"Polecenie", max_length=1000, required=False)
- postprocess_script = forms.CharField(label=u"Skrypt", max_length=500, required=False) # TODO grid ftp
- native = MultiplePredefinedChoiceField(label=u"Parametry natywne", required=False)
+ postprocess_script = forms.CharField(label=u"Skrypt", max_length=500, required=False)
+ native = forms.MultipleChoiceField(label=u"Opcje systemu kolejkowego", required=False)
persistent = forms.BooleanField(label=u"Trwałe", required=False)
- use_scratch = forms.BooleanField(label=u"Scratch", required=False)
+
+ def __init__(self, data=None, initial=None, hosts=(), applications=(), modules=(), *args, **kwargs):
+ super(JobDescriptionForm, self).__init__(data, initial=initial, *args, **kwargs)
+
+ self.fields['hosts'].choices = hosts
+ self.fields['application'].choices = applications
+ self.fields['modules'].choices = modules
+
+ if data or initial:
+ self._init_user_choices('queue')
+ self._init_user_choices('arguments')
+ self._init_user_choices('native')
+ self._init_user_choices('stage_in')
+ self._init_user_choices('force_field')
+
+ if not hosts:
+ self._init_user_choices('hosts')
+ self._init_user_choices('application')
+ self._init_user_choices('modules')
+
+
+ self.fields['monitoring'].widget.attrs['disabled'] = True
+
+ def clean(self):
+ data = super(JobDescriptionForm, self).clean()
+
+ force_field = data.get('force_field')
+
+ if force_field == u'GAB':
+ data['application'] = [u'unres-gab']
+ else:
+ data['application'] = [u'unres-e0ll2y']
+
+ if data['pdb_file']== None:
+ self.add_error('pdb_file', u"Należy podać plik PDB.")
+
+ if data['sequence']== '':
+ self.add_error('sequence', u"Należy podać sekwencję aminokwasów.")
+
+ if data['procs'] and data['nodes']:
+ self.add_error(None, u"Zdefiniuj tylko jedno z pól: liczbę procesów lub topologię węzłów")
+
+ notify_type = data.get('notify_type')
+ data['notify'] = u'{}:{}'.format(notify_type, data['notify_address']) if notify_type else ''
+
+ wo_type = data.get('watch_output_type')
+ data['watch_output'] = u'{}:{}'.format(wo_type, data['watch_output_address']) if wo_type else ''
+
+ preprocess_type = data.get('preprocess_type')
+ if preprocess_type == self.Process.CMD:
+ data['preprocess'] = data['preprocess_cmd']
+ elif preprocess_type == self.Process.SCRIPT:
+ data['preprocess'] = data['preprocess_script']
+ else:
+ data['preprocess'] = ''
+
+ postprocess_type = data.get('postprocess_type')
+ if postprocess_type == self.Process.CMD:
+ data['postprocess'] = data['postprocess_cmd']
+ elif postprocess_type == self.Process.SCRIPT:
+ data['postprocess'] = data['postprocess_script']
+ else:
+ data['postprocess'] = ''
+
+ return data
+
+ def clean_application(self):
+ return self.cleaned_data['application'].split('/', 1) if self.cleaned_data['application'] else ''
+
+ def clean_nodes(self):
+ return map(int, self.cleaned_data['nodes'].split(':', 2)) if self.cleaned_data['nodes'] else ''
+
+ def clean_executable(self):
+ return self._gsiftp_suffix(self.cleaned_data['executable'])
+
+ def clean_master_file(self):
+ return self._gsiftp_suffix(self.cleaned_data['master_file'])
+
+ def clean_input(self):
+ return self._gsiftp_suffix(self.cleaned_data['input'])
+
+ def clean_stage_in(self):
+ return [self._gsiftp_suffix(item) for item in self.cleaned_data['stage_in']]
+
+ def clean_preprocess_script(self):
+ return self._gsiftp_suffix(self.cleaned_data['preprocess_script'])
+
+ def clean_postprocess_script(self):
+ return self._gsiftp_suffix(self.cleaned_data['postprocess_script'])
+
+ def clean_pdb_file(self):
+ return self._gsiftp_suffix(self.cleaned_data['pdb_file'])
+
+ def clean_sequence(self):
+ return self.cleaned_data['sequence'].strip(' \t\n\r')
+
+ @staticmethod
+ def _gsiftp_suffix(url):
+ if url:
+ return url if url.startswith('gsiftp://') else 'gsiftp://' + url
+
+ def _init_user_choices(self, name):
+ initial = self.initial.get(name)
+ choices = self.data.getlist(name)[:] if self.data else []
+
+ if initial:
+ choices += initial if isinstance(initial, list) else [initial]
+
+ if choices:
+ self.fields[name].choices += ((v, v) for v in choices)
class EnvForm(forms.Form):
(HOST, u"Host"),
)
- columns = forms.MultipleChoiceField(choices=COLUMNS_CHOICES, label=u"Kolumny", required=False,
- widget=forms.CheckboxSelectMultiple)
+ columns = forms.MultipleChoiceField(choices=COLUMNS_CHOICES, initial=[k for k, v in COLUMNS_CHOICES[1:]],
+ label=u"Kolumny", required=False, widget=forms.CheckboxSelectMultiple)
+
+
+class JobTemplateForm(forms.ModelForm):
+ class Meta:
+ model = JobTemplate
+ fields = ('name',)
projects / qcg-portal.git / blobdiff