diff --git a/.ci_support/environment-docs.yml b/.ci_support/environment-docs.yml index 383d99ec0..cdf751af4 100644 --- a/.ci_support/environment-docs.yml +++ b/.ci_support/environment-docs.yml @@ -7,7 +7,7 @@ dependencies: - myst-parser - aimsgb =1.1.0 - ase =3.22.1 -- atomistics =0.1.27 +- atomistics =0.1.28 - defusedxml =0.7.1 - h5py =3.11.0 - matplotlib-base =3.8.4 @@ -15,13 +15,13 @@ dependencies: - mp-api =0.41.2 - numpy =1.26.4 - pandas =2.2.2 -- phonopy =2.22.1 +- phonopy =2.23.1 - pint =0.23 - pyiron_base =0.8.4 - pylammpsmpi =0.2.18 - pyscal =2.10.18 - scikit-learn =1.5.0 -- scipy =1.13.0 +- scipy =1.13.1 - seekpath =2.1.0 - spglib =2.4.0 - structuretoolkit =0.0.23 diff --git a/.ci_support/environment-old.yml b/.ci_support/environment-old.yml index ff38d4e90..64567b571 100644 --- a/.ci_support/environment-old.yml +++ b/.ci_support/environment-old.yml @@ -13,9 +13,10 @@ dependencies: - pandas =2.0.3 - phonopy =2.20.0 - pint =0.18 -- pyiron_base =0.7.7 -- pylammpsmpi =0.2.7 -- pyscal =2.10.4 +- pyiron_base =0.8.1 +- pylammpsmpi =0.2.12 +- pyscal =2.10.15 +- monty =2024.3.31 - pyxtal =0.6.1 - scikit-learn =1.2.1 - scipy =1.11.1 diff --git a/.ci_support/environment.yml b/.ci_support/environment.yml index 83389e4a3..7548beb3d 100644 --- a/.ci_support/environment.yml +++ b/.ci_support/environment.yml @@ -3,7 +3,7 @@ channels: dependencies: - aimsgb =1.1.0 - ase =3.22.1 -- atomistics =0.1.27 +- atomistics =0.1.28 - coverage - codacy-coverage - defusedxml =0.7.1 @@ -13,13 +13,13 @@ dependencies: - mp-api =0.41.2 - numpy =1.26.4 - pandas =2.2.2 -- phonopy =2.22.1 +- phonopy =2.23.1 - pint =0.23 - pyiron_base =0.8.4 - pylammpsmpi =0.2.18 - pyscal =2.10.18 - scikit-learn =1.5.0 -- scipy =1.13.0 +- scipy =1.13.1 - seekpath =2.1.0 - spglib =2.4.0 - structuretoolkit =0.0.23 diff --git a/.github/workflows/unittests_old.yml b/.github/workflows/unittests_old.yml index 6d43af033..4a9db5347 100644 --- a/.github/workflows/unittests_old.yml +++ b/.github/workflows/unittests_old.yml @@ -14,7 +14,7 @@ jobs: - name: Setup Mambaforge uses: conda-incubator/setup-miniconda@v2 with: - python-version: '3.9' + python-version: '3.10' miniforge-variant: Mambaforge channels: conda-forge channel-priority: strict @@ -28,4 +28,4 @@ jobs: python .ci_support/pyironconfig.py pip install versioneer[toml]==0.29 pip install . --no-deps --no-build-isolation - python -m unittest discover tests \ No newline at end of file + python -m unittest discover tests diff --git a/binder/environment.yml b/binder/environment.yml index 6718f5411..f18a94465 100644 --- a/binder/environment.yml +++ b/binder/environment.yml @@ -3,7 +3,7 @@ channels: dependencies: - aimsgb =1.1.0 - ase =3.22.1 -- atomistics =0.1.27 +- atomistics =0.1.28 - defusedxml =0.7.1 - h5py =3.11.0 - matplotlib-base =3.8.4 @@ -11,13 +11,13 @@ dependencies: - mp-api =0.41.2 - numpy =1.26.4 - pandas =2.2.2 -- phonopy =2.22.1 +- phonopy =2.23.1 - pint =0.23 - pyiron_base =0.8.4 - pylammpsmpi =0.2.18 - pyscal =2.10.18 - scikit-learn =1.5.0 -- scipy =1.13.0 +- scipy =1.13.1 - seekpath =2.1.0 - spglib =2.4.0 - structuretoolkit =0.0.23 diff --git a/pyproject.toml b/pyproject.toml index e84c883b3..fc4429543 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -25,7 +25,7 @@ classifiers = [ ] dependencies = [ "ase==3.22.1", - "atomistics==0.1.27", + "atomistics==0.1.28", "defusedxml==0.7.1", "h5py==3.11.0", "matplotlib==3.8.4", @@ -33,11 +33,11 @@ dependencies = [ "mp-api==0.41.2", "numpy==1.26.4", "pandas==2.2.2", - "phonopy==2.22.1", + "phonopy==2.23.1", "pint==0.23", "pyiron_base==0.8.4", "pylammpsmpi==0.2.18", - "scipy==1.13.0", + "scipy==1.13.1", "scikit-learn==1.5.0", "seekpath==2.1.0", "spglib==2.4.0",