restore BoltzTraP2 optional dep pinned to >=24.1.1

Author: janosh

.github/workflows/release.yml

@@ -67,8 +67,6 @@ jobs:
         continue-on-error: true # This is not critical to succeed.
       - name: Install dependencies
         run: |
-          python -m pip install --upgrade pip wheel
-
           # TODO remove next line installing ase from main branch until FrechetCellFilter is released
           pip install git+https://gitlab.com/ase/ase
 

.github/workflows/test.yml

@@ -97,11 +97,10 @@ jobs:
         continue-on-error: true # This is not critical to succeed.
       - name: Install dependencies
         run: |
-          python -m pip install numpy cython
-
           # TODO remove next line installing ase from main branch until FrechetCellFilter is released
-          pip install git+https://gitlab.com/ase/ase
+          python -m pip install git+https://gitlab.com/ase/ase
 
+          python -m pip install numpy cython
           python -m pip install -e '.[dev,optional]'
 
       - name: pytest split ${{ matrix.split }}

setup.py

@@ -68,10 +68,9 @@
         ],
         "optional": [
             "ase>=3.22.1",
-            # TODO restore BoltzTraP2 when install fixed, hopefully following merge of
+            # BoltzTraP2 install was fixed in
             # https://gitlab.com/sousaw/BoltzTraP2/-/merge_requests/18
-            # caused CI failure due to ModuleNotFoundError: No module named 'packaging'
-            # "BoltzTraP2>=22.3.2; platform_system!='Windows'",
+            "BoltzTraP2>=24.1.1; platform_system!='Windows'",
             "chemview>=0.6",
             "chgnet",
             "f90nml>=1.1.2",