diff --git a/md/environment.yml b/md/environment.yml index 1050756f..4a433462 100644 --- a/md/environment.yml +++ b/md/environment.yml @@ -3,7 +3,7 @@ channels: - nodefaults dependencies: - pyiron =0.5.2 -- pyiron_atomistics =0.7.20 +- pyiron_atomistics =0.8.1 - pyiron-data =0.0.30 - nglview =3.1.4 - lammps =2023.08.02=*openmpi* diff --git a/mpie_cmti/environment.yml b/mpie_cmti/environment.yml index 9f99ff17..b87b0e98 100644 --- a/mpie_cmti/environment.yml +++ b/mpie_cmti/environment.yml @@ -10,8 +10,6 @@ dependencies: - fitsnap3 =3.1.0.4 - flux-core =0.64.0 - git =2.46.0 -- gpaw =24.6.0=*openmpi* -- gpaw-data =0.9.20000 - jupyter-server-proxy =4.4.0 - jupyterhub =5.2.1 - lammps =2023.08.02=*openmpi* @@ -28,11 +26,11 @@ dependencies: - psycopg2 =2.9.9 - pyiron =0.5.2 - pyiron-data =0.0.30 -- pyiron_atomistics =0.7.20 +- pyiron_atomistics =0.8.1 - pyiron_base =0.15.1 - pyiron_contrib =0.1.19 - pyiron_potentialfit =0.3.12 -- pyiron_workflow =0.13.3 +- pyiron_workflow =0.15.4 - pyiron_gui =0.0.12 - pyironflow =0.0.20 - python-ace =0.3.0 diff --git a/pyiron/environment.yml b/pyiron/environment.yml index 41862185..aa114825 100644 --- a/pyiron/environment.yml +++ b/pyiron/environment.yml @@ -3,5 +3,3 @@ channels: - nodefaults dependencies: - sphinxdft =3.1 -- gpaw =24.6.0=*openmpi* -- gpaw-data = 0.9.20000 diff --git a/requirements.txt b/requirements.txt index e2e6ad90..1e2c485b 100644 --- a/requirements.txt +++ b/requirements.txt @@ -1,17 +1,16 @@ pyiron==0.5.2 pyiron-base==0.15.1 -pyiron-atomistics==0.7.20 +pyiron-atomistics==0.8.1 pyiron-continuum==0.0.8 pyiron-contrib==0.1.19 pyiron-experimental==0.0.3 -pyiron-workflow==0.13.3 +pyiron-workflow==0.15.4 pyiron-potentialfit==0.3.12 pyironflow==0.0.20 aimsgb==1.1.1 calphy==1.4.3 damask==3.0.0 fenics==2019.1.0 -gpaw==24.6.0 hyperspy==2.2.0 jupyter-server-proxy==4.4.0 nbgitpuller==1.2.2