diff --git a/base/environment.yml b/base/environment.yml index 4366b44b..5e29387a 100644 --- a/base/environment.yml +++ b/base/environment.yml @@ -2,6 +2,6 @@ channels: - conda-forge - nodefaults dependencies: -- pyiron_base =0.15.1 -- git =2.46.0 -- mkl =2023.2.0 +- pyiron_base =0.15.7 +- git =2.51.0 +- mkl =2024.2.2 diff --git a/md/environment.yml b/md/environment.yml index dca11b9d..6c3ba361 100644 --- a/md/environment.yml +++ b/md/environment.yml @@ -3,8 +3,8 @@ channels: - nodefaults dependencies: - pyiron =0.5.2 -- pyiron_atomistics =0.7.20 +- pyiron_atomistics =0.8.3 - pyiron-data =0.0.30 - nglview =3.1.4 -- lammps =2024.06.27=*openmpi* +- lammps =2024.08.29=*openmpi* - openkim-models =2021.01.28 diff --git a/mpie_cmti/environment.yml b/mpie_cmti/environment.yml index f107b2b1..ae7c949f 100644 --- a/mpie_cmti/environment.yml +++ b/mpie_cmti/environment.yml @@ -9,40 +9,41 @@ dependencies: - calphy =1.4.3 - fitsnap3 =3.1.0.4 - flux-core =0.78.0 -- git =2.46.0 -- gpaw =24.6.0=*openmpi* -- gpaw-data =0.9.20000 +- git =2.51.0 +- gpaw =25.7.0=*openmpi* +- gpaw-data =1.0.1 - jupyter-server-proxy =4.4.0 - jupyterhub =5.2.1 -- lammps =2024.06.27=*openmpi* +- lammps =2024.08.29=*openmpi* - llama-index =0.14.7 - matgl =1.0.0 - nbgitpuller =1.2.2 - netcdf4 =1.7.2 - nglview =3.1.4 -- mkl =2023.2.0 +- mkl =2024.2.2 - mlip =3.0 - numba =0.62.1 - openkim-models =2021.01.28 +- openmpi =5.0.8 - psycopg2 =2.9.10 - pyiron =0.5.2 - pyiron-data =0.0.30 -- pyiron_atomistics =0.7.20 -- pyiron_base =0.15.1 +- pyiron_atomistics =0.8.3 +- pyiron_base =0.15.7 - pyiron_contrib =0.1.19 -- pyiron_potentialfit =0.3.12 -- pyiron_workflow =0.13.3 +- pyiron_potentialfit =0.3.0 +- pyiron_workflow =0.15.4 - pyiron_gui =0.0.12 - pyironflow =0.0.20 - python-ace =0.3.1 -- pytorch =2.3.1 +- pytorch =2.5.1 - pyxtal =1.0.9 - runner =1.3 - sphinxdft =3.1 - sqsgenerator =0.3 - structdbrest =0.0.1 - sysroot_linux-64 =2.17 -- tensorflow =2.17.0 +- tensorflow =2.18.0 - dscribe =2.1.2 -- landau =1.4 +- landau =1.5.2 - backports.tarfile diff --git a/pyiron/environment.yml b/pyiron/environment.yml index 41862185..6f1cc100 100644 --- a/pyiron/environment.yml +++ b/pyiron/environment.yml @@ -3,5 +3,5 @@ channels: - nodefaults dependencies: - sphinxdft =3.1 -- gpaw =24.6.0=*openmpi* -- gpaw-data = 0.9.20000 +- gpaw =25.7.0=*openmpi* +- openmpi =5.0.8 diff --git a/requirements.txt b/requirements.txt index 3a661a6f..463c55fd 100644 --- a/requirements.txt +++ b/requirements.txt @@ -1,18 +1,18 @@ pyiron==0.5.2 -pyiron-base==0.15.1 -pyiron-atomistics==0.7.20 +pyiron-base==0.15.7 +pyiron-atomistics==0.8.3 pyiron-continuum==0.0.8 pyiron-contrib==0.1.19 pyiron-experimental==0.0.3 -pyiron-workflow==0.13.3 -pyiron-potentialfit==0.3.12 +pyiron-workflow==0.15.4 +pyiron-potentialfit==0.3.0 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 +gpaw==25.7.0 +hyperspy==25.7.02.2.0 jupyter-server-proxy==4.4.0 nbgitpuller==1.2.2 nglview==3.1.4 @@ -32,4 +32,4 @@ llama-index==0.14.7 netcdf4==1.7.2 bokeh==3.8.0 dscribe==2.1.2 -landau==1.4 +landau==1.5.2