diff --git a/environment.yml b/environment.yml index e624a3c09de2c6fc229a0b0aee5edb0dbdd607ed..a6f06415f96e335c54d4cf5d0b4da52f8a04a55c 100644 --- a/environment.yml +++ b/environment.yml @@ -6,22 +6,22 @@ dependencies: - libblas=*=*mkl" - numpy - scipy - - pyiron - - pyiron_base + - pyiron=0.4.6 + - pyiron_base=0.5.12 - pyiron_gpl - - pyiron_atomistics >=0.2.0 + - pyiron_atomistics=0.2.47 - pyiron-data >=0.0.5 - - lammps + - lammps=2021.10.27 - iprpy-data - - gpaw + #- gpaw - sphinxdft >=2.7.0 - sphinxdft-data - nglview - seaborn - - pyscal + - pyscal=2.10.15 - sqsgenerator - pymatgen - - calphy + - calphy=1.0.3 - make - cmake - gcc_impl_linux-64=12.1.0