From 642b72106fefe5d923b35e76417a5af89f2edb00 Mon Sep 17 00:00:00 2001 From: Jinzhe Zeng Date: Sun, 23 Jul 2023 17:06:50 -0400 Subject: [PATCH] Revert "pin pymatgen to 2023.7.11 (#501)" This reverts commit 7bb639255e82b9ed7002d4529cec4b8e6ce2ee0b. --- .github/workflows/test.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/.github/workflows/test.yml b/.github/workflows/test.yml index 0ab9509f4..9e2cbf607 100644 --- a/.github/workflows/test.yml +++ b/.github/workflows/test.yml @@ -22,7 +22,7 @@ jobs: - name: Install rdkit run: python -m pip install rdkit openbabel-wheel - name: Install dependencies - run: python -m pip install .[amber,ase,pymatgen] coverage "pymatgen==2023.7.11;python_version>='3.8'" + run: python -m pip install .[amber,ase,pymatgen] coverage - name: Test run: cd tests && coverage run --source=../dpdata -m unittest && cd .. && coverage combine tests/.coverage && coverage report - name: Run codecov