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Test ambertools 26 #150

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Test ambertools 26 #150

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7c46061
test new ambertools build
mikemhenry Jul 10, 2026
3f3d905
don't have osx builds yet
mikemhenry Jul 10, 2026
8c08783
test new version of ambertools on osx and linux
mikemhenry Jul 10, 2026
04ad6db
I think some things to help the solver are prevening things from reso…
mikemhenry Jul 10, 2026
a6281f9
test arm
mikemhenry Jul 10, 2026
cdffd47
bump ci -- forgot to upload arm build before pushing
mikemhenry Jul 10, 2026
cb68043
drop arm until we have arm builds for apsw
mikemhenry Jul 10, 2026
7317710
Test Ambertools 26
mikemhenry Jul 13, 2026
36803cf
use ambertools 26 lable
mikemhenry Jul 13, 2026
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1 change: 1 addition & 0 deletions .github/workflows/full-stack.yaml
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Original file line number Diff line number Diff line change
Expand Up @@ -19,6 +19,7 @@ jobs:
os:
- "ubuntu-latest"
- "macos-latest"
- "ubuntu-24.04-arm"
python-version:
- "3.12"

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8 changes: 3 additions & 5 deletions devtools/conda-envs/full-stack.yaml
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Original file line number Diff line number Diff line change
@@ -1,16 +1,17 @@
name: full-stack-tests
channels:
- mmh/label/amber26
- openeye
- conda-forge
dependencies:
- python
- setuptools =81
- pip
- numpy >=2.4
- numpy >=2
- pydantic =2.11.10
- pint >=0.25
- openff-toolkit >=0.18
- ambertools =24.8 # just to help solver
- ambertools =26.0 # just to help solver
- openff-fragmenter
- openff-interchange >=0.5.2
- mdtraj
Expand Down Expand Up @@ -47,6 +48,3 @@ dependencies:
- gromacs >=2024
# https://github.com/conda-forge/lammps-feedstock/issues/207
- lammps >=2024.08.29
- openmpi =4

- icu=75 # just to help solver
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