Some fixes.

.github/workflows/linting.yml

@@ -24,13 +24,13 @@ jobs:
       - name: ruff
         run: |
           ruff --version
-          ruff check matgl
+          ruff check matcalc
       - name: black
         run: |
           black --version
-          black --check --diff --color matgl
+          black --check --diff --color matcalc
       - name: mypy
         run: |
           mypy --version
           rm -rf .mypy_cache
-          mypy matgl
+          mypy matcalc

.github/workflows/testing.yml

@@ -40,7 +40,7 @@ jobs:
           pip install -e .
       - name: pytest
         run: |
-          pytest --cov=matgl tests --color=yes
+          pytest --cov=matcalc tests --color=yes
       - name: Coveralls
         uses: coverallsapp/github-action@v2
 

requirements-ci.txt

@@ -0,0 +1,13 @@
+ase>=3.22.1
+chemview>=0.6
+netCDF4>=1.5.8
+fdint>=2.0.2
+phonopy>=2.16.3
+h5py>=3.8.0
+BoltzTraP2>=22.3.2
+f90nml>=1.4.3
+# hiphive>=0.6
+seekpath>=2.0.1
+jarvis-tools>=2022.9.16
+galore>=0.7.0
+matgl>=0.5.1