diff --git a/environment.yaml b/environment.yaml index ba9f2f1..37031f0 100644 --- a/environment.yaml +++ b/environment.yaml @@ -14,21 +14,12 @@ dependencies: - pytest-cov - pytest-xdist - python=3.13 - # - openfe==1.12.0 - - # tmp for dev build until openfe 1.13 is released - - exorcist - - gufe == 1.13.1 + - openfe==1.13.* - cinnabar >=0.6.0 - kartograf ~=2.0 - konnektor ~=0.5.0 - openfe-analysis>=0.5.0 - lomap2>=3.2.1 - - py3dmol - - pygraphviz - - openmmforcefields >=0.15.1 # min needed for https://github.com/openmm/openmmforcefields/pull/414 - - openmmtools >=0.26 # fix to support membrane barostat: https://github.com/choderalab/openmmtools/pull/798 - - plugcli - pip: - git+https://github.com/OpenFreeEnergy/openfe@main