From e0f26a539971c147fc545f903af4936d7ae47665 Mon Sep 17 00:00:00 2001 From: Jinzhe Zeng Date: Thu, 10 Feb 2022 00:20:53 -0500 Subject: [PATCH 1/3] bump test python version to 3.7-3.10 --- .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 350186d9f..d6076dea6 100644 --- a/.github/workflows/test.yml +++ b/.github/workflows/test.yml @@ -9,7 +9,7 @@ jobs: runs-on: ubuntu-latest strategy: matrix: - python-version: [3.6, 3.7, 3.8] + python-version: [3.7, 3.8, 3.9, "3.10"] steps: - uses: actions/checkout@v2 From 5119ae6cea807ee338b669a3b964abcfc9756e84 Mon Sep 17 00:00:00 2001 From: Jinzhe Zeng Date: Thu, 10 Feb 2022 00:36:17 -0500 Subject: [PATCH 2/3] rm 3.10 --- .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 d6076dea6..e242eb6fd 100644 --- a/.github/workflows/test.yml +++ b/.github/workflows/test.yml @@ -9,7 +9,7 @@ jobs: runs-on: ubuntu-latest strategy: matrix: - python-version: [3.7, 3.8, 3.9, "3.10"] + python-version: [3.7, 3.8, 3.9] steps: - uses: actions/checkout@v2 From 0082cde22f425e5363839945df6b4f25250e7de8 Mon Sep 17 00:00:00 2001 From: Jinzhe Zeng Date: Thu, 10 Feb 2022 14:14:35 -0500 Subject: [PATCH 3/3] fix test error --- dpdata/vasp/outcar.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/dpdata/vasp/outcar.py b/dpdata/vasp/outcar.py index f35b54b23..0e9e74d33 100644 --- a/dpdata/vasp/outcar.py +++ b/dpdata/vasp/outcar.py @@ -20,7 +20,7 @@ def system_info (lines, type_idx_zero = False) : m = re.search(r'NELM\s*=\s*(\d+)', ii) if m: nelm = int(m.group(1)) - elif 'ions per type' in ii : + if 'ions per type' in ii : atom_numbs_ = [int(s) for s in ii.split()[4:]] if atom_numbs is None : atom_numbs = atom_numbs_