diff --git a/environment.yml b/environment.yml
index 253987e..0e472ec 100644
--- a/environment.yml
+++ b/environment.yml
@@ -1,70 +1,70 @@
-name: base
 channels:
-  - conda-forge
+- conda-forge
 dependencies:
-  - ase =3.26.0
-  - assyst =0.8.0  # [unix]
-  - atomistics =0.3.0
-  - black =25.1.0
-  - calphy =1.4.3  # [unix]
-  - conda =25.7.0
-  - conda-smithy =3.52.2
-  - coverage =7.11.0
-  - custodian =2025.10.11
-  - dynaphopy =1.18.0  # [unix]
-  - executorlib =1.7.1
-  - ffmpeg =7.1.1  # [unix]
-  - flux-core =0.64.0  # [linux]
-  - flux-sched =0.38.0  # [linux]
-  - git =2.51.0
-  - git-filter-repo =2.38.0
-  - gpaw =25.7.0  # [unix64]
-  - grace-tensorpotential =0.5.3  # [unix]
-  - graphviz =12.0.0
-  - grayskull =2.9.1
-  - gunicorn =23.0.0  # [unix]
-  - h5io =0.2.5
-  - h5io_browser =0.2.3
-  - iprpy-data =2023.07.25
-  - jupyterlab =4.4.9
-  - jupyter-server-proxy =4.4.0
-  - jupyterhub =5.2.1
-  - lammps =2024.08.29=*openmpi*  # [unix]
-  - landau =1.4
-  - langchain =0.3.27
-  - langchain-anthropic =0.3.22
-  - langchain-experimental =0.3.4
-  - langchain-openai =0.3.35
-  - lxml =5.4.0
-  - mamba =2.3.2
-  - matplotlib-base =3.10.6
-  - mkl =2024.2.2  # [linux]
-  - mpi4py =4.1.0
-  - mypy =1.18.2
-  - nglview =3.1.4
-  - pre-commit =4.3.0
-  - psycopg2 =2.9.10
-  - pyauthenticator =0.2.1  # [unix]
-  - pygraphviz =1.14
-  - pyiron =0.5.2
-  - pyiron-data =0.0.30
-  - pyiron_atomistics =0.8.1
-  - pyiron_base =0.15.4
-  - pyiron_snippets =1.0.1
-  - pyiron_workflow =0.15.4
-  - pylammpsmpi =0.3.3
-  - pymace =0.3.14  # [unix]
-  - pymov2gif =0.0.2  # [unix]
-  - pysqa =0.3.2
-  - python =3.12.10
-  - python-ace =0.3.1 # [unix]
-  - python-ternary =1.0.8
-  - pytorch =2.5.1  # [unix]
-  - pyxtal =1.1.1
-  - qe =7.5  # [unix64]
-  - seaborn =0.13.2
-  - sphinxdft =3.1  # [linux]
-  - sqsgenerator =0.3
-  - sysroot_linux-64 =2.17  # [linux]
-  - tensorflow =2.18.0  # [unix]
-  - wget =1.21.4  # [unix]
+- ase =3.26.0
+- assyst =0.8.0
+- atomistics =0.3.0
+- black =25.1.0
+- calphy =1.4.3
+- conda =25.7.0
+- conda-smithy =3.52.2
+- coverage =7.11.0
+- custodian =2025.10.11
+- dynaphopy =1.18.0
+- executorlib =1.7.1
+- ffmpeg =7.1.1
+- flux-core =0.64.0
+- flux-sched =0.38.0
+- git =2.51.0
+- git-filter-repo =2.38.0
+- gpaw =25.7.0
+- grace-tensorpotential =0.5.3
+- graphviz =12.0.0
+- grayskull =2.9.1
+- gunicorn =23.0.0
+- h5io =0.2.5
+- h5io_browser =0.2.3
+- iprpy-data =2023.07.25
+- jupyterlab =4.4.9
+- jupyter-server-proxy =4.4.0
+- jupyterhub =5.2.1
+- lammps =2024.08.29=*openmpi*
+- landau =1.4
+- langchain =0.3.27
+- langchain-anthropic =0.3.22
+- langchain-experimental =0.3.4
+- langchain-openai =0.3.35
+- lxml =5.4.0
+- mamba =2.3.2
+- matplotlib-base =3.10.6
+- mkl =2024.2.2
+- mpi4py =4.1.0
+- mypy =1.18.2
+- nglview =3.1.4
+- pre-commit =4.3.0
+- psycopg2 =2.9.10
+- pyauthenticator =0.2.1
+- pygraphviz =1.14
+- pyiron =0.5.2
+- pyiron-data =0.0.30
+- pyiron_atomistics =0.8.1
+- pyiron_base =0.15.4
+- pyiron_snippets =1.0.1
+- pyiron_workflow =0.15.4
+- pylammpsmpi =0.3.3
+- pymace =0.3.14
+- pymov2gif =0.0.2
+- pysqa =0.3.3
+- python =3.12.10
+- python-ace =0.3.1
+- python-ternary =1.0.8
+- pytorch =2.5.1
+- pyxtal =1.1.1
+- qe =7.5
+- seaborn =0.13.2
+- sphinxdft =3.1
+- sqsgenerator =0.3
+- sysroot_linux-64 =2.17
+- tensorflow =2.18.0
+- wget =1.21.4
+name: base
diff --git a/requirements.txt b/requirements.txt
index 02aaadb..66036ac 100644
--- a/requirements.txt
+++ b/requirements.txt
@@ -34,7 +34,7 @@ pyiron-base==0.15.4
 pyiron-snippets==1.0.1
 pyiron-workflow==0.15.4
 pylammpsmpi==0.3.3
-pysqa==0.3.2
+pysqa==0.3.3
 python-ternary==1.0.8
 pyxtal==1.1.1
 torch==2.5.1