From 08a3f62c6b7f2b0553785962bf6e4a81f15da536 Mon Sep 17 00:00:00 2001 From: Alvin Noe Ladines <ladinesalvinnoe@gmail.com> Date: Fri, 14 May 2021 15:11:26 +0200 Subject: [PATCH] Implemented new openkim parser --- dependencies/parsers/openkim | 2 +- nomad/parsing/parsers.py | 9 ++------- 2 files changed, 3 insertions(+), 8 deletions(-) diff --git a/dependencies/parsers/openkim b/dependencies/parsers/openkim index 1cd31deb8c..af95941987 160000 --- a/dependencies/parsers/openkim +++ b/dependencies/parsers/openkim @@ -1 +1 @@ -Subproject commit 1cd31deb8c043df3f72067b5b566e19796cec2aa +Subproject commit af95941987808122e9ba5d3c4d734fc06cee9749 diff --git a/nomad/parsing/parsers.py b/nomad/parsing/parsers.py index 5379f130ba..1533a69906 100644 --- a/nomad/parsing/parsers.py +++ b/nomad/parsing/parsers.py @@ -16,13 +16,11 @@ # limitations under the License. # -from nomad.metainfo.metainfo import Quantity import os.path from nomad import config, datamodel from .parser import MissingParser, BrokenParser, Parser, ArchiveParser -from .legacy import LegacyParser from .artificial import EmptyParser, GenerateRandomParser, TemplateParser, ChaosParser from eelsdbconverter import EELSApiJsonConverter @@ -72,6 +70,7 @@ from charmmparser import CharmmParser from libatomsparser import LibAtomsParser from atkparser import ATKParser from qboxparser import QboxParser +from openkimparser import OpenKIMParser try: # these packages are not available without parsing extra, which is ok, if the @@ -199,11 +198,7 @@ parsers = [ FleurParser(), MolcasParser(), OnetepParser(), - LegacyParser( - name='parsers/openkim', code_name='OpenKIM', domain='dft', - parser_class_name='openkimparser.OpenKIMParser', - mainfile_contents_re=r'OPENKIM' - ), + OpenKIMParser(), TinkerParser(), LammpsParser(), AmberParser(), -- GitLab