diff --git a/pyproject.toml b/pyproject.toml index 603277b..d95d3ff 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -27,7 +27,7 @@ maintainers = [ license = { file = "LICENSE" } dependencies = [ "nomad-lab@git+https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR.git@6b7149a71b2999abbb2225fcb67a5acafc811806", - "nomad-simulations@git+https://github.com/nomad-coe/nomad-simulations.git@0732ea7c9d4c5afcc8b01e3dbfd9235cfc7ffe4c", + "nomad-simulations@git+https://github.com/nomad-coe/nomad-simulations.git@7f4648808708d60d97bc3c29c566e04a1f63f7f1", ] [project.urls] diff --git a/src/nomad_parser_wannier90/parsers/parser.py b/src/nomad_parser_wannier90/parsers/parser.py index eb8bbb5..d905033 100644 --- a/src/nomad_parser_wannier90/parsers/parser.py +++ b/src/nomad_parser_wannier90/parsers/parser.py @@ -574,7 +574,6 @@ def parse( dft_plus_tb_archive = self._child_archives.get( 'DFTPlusTB_workflow' ) - print(dft_archive, self.archive) dft_plus_tb = parse_dft_plus_tb_workflow( dft_archive=dft_archive, tb_archive=self.archive ) diff --git a/src/nomad_parser_wannier90/parsers/utils/utils.py b/src/nomad_parser_wannier90/parsers/utils/utils.py index 0c37879..edc476e 100644 --- a/src/nomad_parser_wannier90/parsers/utils/utils.py +++ b/src/nomad_parser_wannier90/parsers/utils/utils.py @@ -6,7 +6,7 @@ import os from glob import glob -from nomad.datamodel.metainfo.workflow_new import TaskReference +from nomad.datamodel.metainfo.workflow_new import TaskReference2 as TaskReference from nomad_simulations.schema_packages.workflow import DFTPlusTB @@ -57,7 +57,6 @@ def parse_dft_plus_tb_workflow( if not dft_archive.workflow2 or not tb_archive.workflow2: return - print(dft_archive.workflow2, tb_archive.workflow2) dft_task = dft_archive.workflow2 tb_task = tb_archive.workflow2