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Update package setup (#389)
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* Update installation

* Avoid duplicate builds

* Remove `requirements.txt`
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mattwthompson authored Nov 17, 2022
1 parent 5512625 commit 8d77a4f
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8 changes: 7 additions & 1 deletion .github/workflows/ci.yaml
Original file line number Diff line number Diff line change
Expand Up @@ -2,7 +2,13 @@ name: ci

on:
push:
branches:
- "main"
- "master"
pull_request:
branches:
- "main"
- "master"

jobs:
test:
Expand Down Expand Up @@ -54,4 +60,4 @@ jobs:
- name: Run tests
shell: bash -l {0}
run: |
pytest --pyargs intermol -v
pytest -v -nauto
10 changes: 1 addition & 9 deletions devtools/conda-envs/test_env.yaml
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@@ -1,20 +1,12 @@
name: intermol-test-env
channels:
- conda-forge
- omnia
- bioconda
- defaults
dependencies:
# Core
- numpy
- parmed
- openmm
- six

# Engines
- ambertools
- gromacs
- lammps

# Testing
- pytest
- pytest-xdist
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