diff --git a/default_plugins.txt b/default_plugins.txt index dd476bdb3..ae5dd3dd7 100644 --- a/default_plugins.txt +++ b/default_plugins.txt @@ -13,7 +13,7 @@ nomad-normalizer-plugin-spectra>=1.0 nomad-normalizer-plugin-system>=1.0 nomad-normalizer-plugin-simulation-workflow>=1.0 nomad-parser-plugins-electronic>=1.0 -nomad-parser-plugins-atomistic>=1.0.1 +nomad-parser-plugins-atomistic @ git+https://github.com/exactlab/atomistic-parsers.git@lammps_fix_re nomad-parser-plugins-workflow>=1.0 nomad-parser-plugins-database>=1.0 # git+https://github.com/nomad-coe/nomad-parser-eelsdb.git@entry-point diff --git a/requirements-plugins.txt b/requirements-plugins.txt index 90d208b3c..a928f5b55 100644 --- a/requirements-plugins.txt +++ b/requirements-plugins.txt @@ -43,7 +43,6 @@ diffpy-structure==3.2.2 # via diffsims, kikuchipy, orix diffsims==0.6.0 # via kikuchipy, pyxem dill==0.3.9 # via hyperspy, lmfit docstring-parser==0.16 # via nomad-lab, -c requirements-dev.txt -eelsdbconverter @ git+https://github.com/nomad-coe/nomad-parser-eelsdb.git@788eb03dc71ef9b164e2a5ccb9c0209b546f5c38 # via -r default_plugins.txt elasticsearch==7.17.12 # via elasticsearch-dsl, -c requirements-dev.txt elasticsearch-dsl==7.4.0 # via nomad-lab, -c requirements-dev.txt entrypoints==0.4 # via ipyparallel @@ -148,7 +147,7 @@ nomad-normalizer-plugin-soap==1.0 # via -r default_plugins.txt nomad-normalizer-plugin-spectra==1.0 # via -r default_plugins.txt nomad-normalizer-plugin-system==1.0 # via -r default_plugins.txt nomad-openbis==1.0.0 # via nomad-external-eln-integrations -nomad-parser-plugins-atomistic==1.0.2 # via -r default_plugins.txt +nomad-parser-plugins-atomistic @ git+https://github.com/exactlab/atomistic-parsers.git@77f863adac389c7f5fb47de0d8d5b483ea988e79 # via -r default_plugins.txt nomad-parser-plugins-database==1.0 # via -r default_plugins.txt nomad-parser-plugins-electronic==1.0.2 # via -r default_plugins.txt nomad-parser-plugins-simulation==1.0.2 # via nomad-parser-plugins-atomistic, nomad-parser-plugins-electronic @@ -169,7 +168,7 @@ orix==0.13.2 # via diffsims, kikuchipy, pyxem orjson==3.10.11 # via h5grove, nomad-lab, -c requirements-dev.txt packaging==24.2 # via dask, deprecation, hyperspy, ipykernel, jupyter-server, jupyterlab, jupyterlab-server, lazy-loader, matplotlib, mdanalysis, nbconvert, pint, plotly, pooch, scikit-image, silx, tables, xarray, xraydb, -c requirements-dev.txt palettable==3.3.3 # via pymatgen, -c requirements-dev.txt -pandas==2.2.3 # via eelsdbconverter, ifes-apt-tc-data-modeling, nomad-lab, nomad-openbis, panedr, pymatgen, pynxtools, radioactivedecay, xarray, -c requirements-dev.txt +pandas==2.2.3 # via ifes-apt-tc-data-modeling, nomad-lab, nomad-openbis, panedr, pymatgen, pynxtools, radioactivedecay, xarray, -c requirements-dev.txt pandocfilters==1.5.1 # via nbconvert panedr==0.8.0 # via nomad-lab, nomad-parser-plugins-atomistic, -c requirements-dev.txt parmed==4.3.0 # via nomad-lab, -c requirements-dev.txt @@ -229,7 +228,7 @@ pyzeo==0.1.6 # via nomad-porous-materials pyzmq==26.2.0 # via ipykernel, ipyparallel, jupyter-client, jupyter-console, jupyter-server radioactivedecay==0.5.1 # via ifes-apt-tc-data-modeling rdkit==2023.9.5 # via perovskite-solar-cell-database, -c requirements-dev.txt -requests==2.31.0 # via eelsdbconverter, hyperspy, jupyterlab-server, nomad-lab, nomad-openbis, pooch, pymatgen, python-keycloak, requests-toolbelt, rfc3161ng, -c requirements-dev.txt +requests==2.31.0 # via hyperspy, jupyterlab-server, nomad-lab, nomad-openbis, pooch, pymatgen, python-keycloak, requests-toolbelt, rfc3161ng, -c requirements-dev.txt requests-toolbelt==1.0.0 # via python-keycloak, -c requirements-dev.txt rfc3161ng==2.1.3 # via nomad-lab, -c requirements-dev.txt rfc3339-validator==0.1.4 # via jsonschema, -c requirements-dev.txt