Update dependencies

- Update aiida-wannier90 version
- Remove codecov token
- pre-commit autoupdate
- Fix pylint
- Update package version

.github/workflows/ci.yml

@@ -72,8 +72,10 @@ jobs:
       - name: Upload coverage to Codecov
         uses: codecov/codecov-action@v3
         with:
-          # token: ${{ secrets.CODECOV_TOKEN }}
-          token: 72dba8d9-0743-4c6a-b85d-1222db169c80
+          token: ${{ secrets.CODECOV_TOKEN }}
+          # secrets and env are not accessible for PR from fork, therefore codecov
+          # would fail during tests. Now ignore failed codecov upload in PR, they
+          # will be uploaded during the test on main branch after PR merge.
           fail_ci_if_error: false
           verbose: true
           working-directory: tests

.pre-commit-config.yaml

@@ -1,6 +1,6 @@
 repos:
   - repo: https://github.com/pre-commit/pre-commit-hooks
-    rev: v4.4.0
+    rev: v4.6.0
     hooks:
       - id: end-of-file-fixer
         exclude: &exclude_txtfiles >-
@@ -28,25 +28,25 @@ repos:
   #     - id: check-manifest
 
   - repo: https://github.com/asottile/pyupgrade
-    rev: v3.8.0
+    rev: v3.15.2
     hooks:
       - id: pyupgrade
         args: ["--py37-plus"]
 
   - repo: https://github.com/ikamensh/flynt/
-    rev: "0.78"
+    rev: "1.0.1"
     hooks:
       - id: flynt
         args: ["--line-length=120", "--fail-on-change"]
 
   - repo: https://github.com/PyCQA/isort
-    rev: 5.12.0
+    rev: 5.13.2
     hooks:
       - id: isort
         additional_dependencies: ["toml"]
 
   - repo: https://github.com/psf/black
-    rev: 23.3.0
+    rev: 24.4.2
     hooks:
       - id: black
 
@@ -63,7 +63,7 @@ repos:
         args: ["--ignore=D104,D202,D203,D213"]
 
   - repo: https://github.com/PyCQA/pylint
-    rev: v3.0.0a6
+    rev: v3.1.0
     hooks:
       - id: pylint
         language: system

pyproject.toml

@@ -33,7 +33,7 @@ dependencies = [
     "aiida-core>=2.0,<3",
     "aiida-pseudo>=0.6",
     "aiida-quantumespresso>=4.4",
-    "aiida-wannier90>=2.1",
+    "aiida-wannier90>=2.2",
     "click>=8.0",
     "colorama"
 ]
@@ -49,7 +49,7 @@ tests = [
     "pytest-regressions",
     "pgtest"
 ]
-pre-commit = ["pre-commit", "pylint"]
+pre-commit = ["pre-commit", "pylint>=3"]
 docs = [
     "aiida-core~=2.5",
     "docutils",
@@ -64,7 +64,10 @@ docs = [
 ]
 dev = [
     "typer[all]",
-    "upf_tools~=0.1"
+    "upf_tools~=0.1",
+    "rich",
+    "typer",
+    "upf-tools"
 ]
 analysis = ["pandas", "tables", "scikit-learn"]
 

src/aiida_wannier90_workflows/__init__.py

@@ -1,3 +1,3 @@
 """A set of advanced AiiDA Wannier90 Workchain."""
 
-__version__ = "2.2.0"
+__version__ = "2.3.0"