From ffd54b8c80f5de291c93fda0a638141e61554f9c Mon Sep 17 00:00:00 2001 From: dz24 Date: Mon, 15 Sep 2025 11:27:17 +0200 Subject: [PATCH 1/2] first --- .github/workflows/biweekly.yml | 7 +++++-- test/test_shoot/test_shoot.py | 3 +++ 2 files changed, 8 insertions(+), 2 deletions(-) diff --git a/.github/workflows/biweekly.yml b/.github/workflows/biweekly.yml index 9e29379..1854c93 100644 --- a/.github/workflows/biweekly.yml +++ b/.github/workflows/biweekly.yml @@ -39,11 +39,14 @@ jobs: path: ./.venv key: venv-${{ matrix.python-version }}-${{ hashFiles('pyproject.toml') }} - - name: "Install" - run: poetry install + - name: "Install infretis" + run: pip install . - name: "Install turtlemd" run: pip install turtlemd + - name: "Install pytest" + run: pip install pytest + - name: "Run pytest" run: poetry run pytest test diff --git a/test/test_shoot/test_shoot.py b/test/test_shoot/test_shoot.py index 960a3b6..60650f8 100644 --- a/test/test_shoot/test_shoot.py +++ b/test/test_shoot/test_shoot.py @@ -3,6 +3,7 @@ from pathlib import PosixPath import numpy as np +import turtlemd from inftools.tistools.shoot import shoot @@ -26,6 +27,8 @@ def test_shoot_1(tmp_path: PosixPath) -> None: sht_dir = "shooting_dir0" shoot(traj=TRAJ, toml=TOML, name=sht_dir, seed=0) + assert 0 + ord1 = np.loadtxt(sht_dir + "/0/order.txt") ene1 = np.loadtxt(sht_dir + "/0/energy.txt") trj1 = np.loadtxt(sht_dir + "/0/traj.txt", dtype=str) From 70e9ffbfa12ae4a2d50d96c1d9361464c76d3251 Mon Sep 17 00:00:00 2001 From: dz24 Date: Mon, 15 Sep 2025 11:31:27 +0200 Subject: [PATCH 2/2] update --- test/test_shoot/test_shoot.py | 3 --- 1 file changed, 3 deletions(-) diff --git a/test/test_shoot/test_shoot.py b/test/test_shoot/test_shoot.py index 60650f8..960a3b6 100644 --- a/test/test_shoot/test_shoot.py +++ b/test/test_shoot/test_shoot.py @@ -3,7 +3,6 @@ from pathlib import PosixPath import numpy as np -import turtlemd from inftools.tistools.shoot import shoot @@ -27,8 +26,6 @@ def test_shoot_1(tmp_path: PosixPath) -> None: sht_dir = "shooting_dir0" shoot(traj=TRAJ, toml=TOML, name=sht_dir, seed=0) - assert 0 - ord1 = np.loadtxt(sht_dir + "/0/order.txt") ene1 = np.loadtxt(sht_dir + "/0/energy.txt") trj1 = np.loadtxt(sht_dir + "/0/traj.txt", dtype=str)