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6 changes: 3 additions & 3 deletions .github/test.yml → .github/workflows/test.yml
Original file line number Diff line number Diff line change
Expand Up @@ -2,17 +2,17 @@ name: Tests

on:
push:
branches: [main, master]
branches: [devel]
pull_request:
branches: [main, master]
branches: [devel]

jobs:
test:
runs-on: ubuntu-latest
strategy:
fail-fast: false
matrix:
python-version: ["3.9", "3.10", "3.11"]
python-version: ["3.10", "3.11"]

steps:
- uses: actions/checkout@v4
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2 changes: 2 additions & 0 deletions pyproject.toml
Original file line number Diff line number Diff line change
Expand Up @@ -77,7 +77,9 @@ dev = [
"pytest>=7.0.0",
"pytest-asyncio>=0.21.0",
"pytest-cov>=4.0.0",
"anyio>=4.0.0",
"ruff>=0.1.0",
"numpy>=1.24.0,<2.0.0",
]

# Documentation
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6 changes: 5 additions & 1 deletion workflows/sgdes/sgdes_workflow.py
Original file line number Diff line number Diff line change
Expand Up @@ -380,8 +380,11 @@ async def _run_des(self, tasks, **kwargs) -> None:
# single-node → DES_TMPDIR (/tmp): fast local I/O, ~10 s/createdb step
# multi-node → None (Lustre): shared across nodes, ~27-130 s/step
# See run_workflow.py for the full rationale.
_workdir_base = self.des_workdir_base if self.des_workdir_base is not None \
_workdir_base = (
self.des_workdir_base
if self.des_workdir_base is not None
else os.path.dirname(des_fasta)
)
workdir = tempfile.mkdtemp(prefix="fsim_", dir=_workdir_base)

# foldseek_search's internal scratch stays on node-local /tmp regardless.
Expand Down Expand Up @@ -501,6 +504,7 @@ def my_initializer(dom, batch_size, random_state):
os.remove(cand_fa)
os.remove(out_tsv)
import glob as _glob

for _f in _glob.glob(f"{cand_db}*"):
try:
os.remove(_f)
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