From 963022f8f4321b2eb750a61e3ff33858384bd521 Mon Sep 17 00:00:00 2001 From: JosePizarro3 Date: Thu, 10 Oct 2024 10:37:23 +0200 Subject: [PATCH] New workflow schema --- pyproject.toml | 4 ++-- src/nomad_parser_vasp/parsers/parser.py | 2 +- 2 files changed, 3 insertions(+), 3 deletions(-) diff --git a/pyproject.toml b/pyproject.toml index a46e0f7..063d7dc 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -28,8 +28,8 @@ maintainers = [ ] license = { file = "LICENSE" } dependencies = [ - "nomad-lab@git+https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR.git@ea0e5cbc632a514ea4d7e0bca1fab105d452f94c", - "nomad-simulations@git+https://github.com/nomad-coe/nomad-simulations.git@6a7668bcda0c074f8696eddccf326973acff41ac", + "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", "python-magic-bin; sys_platform == 'win32'", ] diff --git a/src/nomad_parser_vasp/parsers/parser.py b/src/nomad_parser_vasp/parsers/parser.py index ed595c2..cc909cf 100644 --- a/src/nomad_parser_vasp/parsers/parser.py +++ b/src/nomad_parser_vasp/parsers/parser.py @@ -52,5 +52,5 @@ def parse( # Workflow section workflow = SinglePoint() - workflow.normalize(archive=archive, logger=logger) + # workflow.normalize(archive=archive, logger=logger) archive.workflow2 = workflow