From 479b7d5e92f67fde0834582de19e8fc3c15a18c2 Mon Sep 17 00:00:00 2001 From: "dependabot[bot]" <49699333+dependabot[bot]@users.noreply.github.com> Date: Mon, 4 Sep 2023 16:35:31 +0000 Subject: [PATCH 1/4] Bump pymatgen from 2023.8.10 to 2023.9.2 Bumps [pymatgen](https://github.com/materialsproject/pymatgen) from 2023.8.10 to 2023.9.2. - [Release notes](https://github.com/materialsproject/pymatgen/releases) - [Changelog](https://github.com/materialsproject/pymatgen/blob/master/CHANGES.md) - [Commits](https://github.com/materialsproject/pymatgen/compare/v2023.8.10...v2023.9.2) --- updated-dependencies: - dependency-name: pymatgen dependency-type: direct:development update-type: version-update:semver-minor ... Signed-off-by: dependabot[bot] --- setup.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/setup.py b/setup.py index 731c710a4..8a618cc38 100644 --- a/setup.py +++ b/setup.py @@ -36,13 +36,13 @@ 'scipy==1.11.2', # ase already requires scipy ], extras_require={ - "grainboundary": ['aimsgb==1.0.3', 'pymatgen==2023.8.10'], + "grainboundary": ['aimsgb==1.0.3', 'pymatgen==2023.9.2'], "pyscal": ['pyscal2==2.10.18'], "nglview": ['nglview==3.0.6'], "plotly": ['plotly==5.16.1'], "clusters": ['scikit-learn==1.3.0'], "symmetry": ['spglib==2.0.2'], - "surface": ['spglib==2.0.2', 'pymatgen==2023.8.10'], + "surface": ['spglib==2.0.2', 'pymatgen==2023.9.2'], "phonopy": ['phonopy==2.20.0', 'spglib==2.0.2'], "pyxtal": ['pyxtal==0.5.9'] }, From c97eacf1bff728e66bff412c5cab5223d4e257a6 Mon Sep 17 00:00:00 2001 From: Jan Janssen Date: Mon, 4 Sep 2023 20:53:09 +0200 Subject: [PATCH 2/4] Update environment.yml --- .ci_support/environment.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/.ci_support/environment.yml b/.ci_support/environment.yml index f582ad84b..cb757d539 100644 --- a/.ci_support/environment.yml +++ b/.ci_support/environment.yml @@ -11,7 +11,7 @@ dependencies: - numpy =1.23.5 - phonopy =2.20.0 - plotly =5.16.1 -- pymatgen =2023.7.20 +- pymatgen =2023.9.2 - pyscal =2.10.18 - scikit-learn =1.3.0 - scipy =1.11.2 From 3e496f11ed4dc5b119038e46644c09f4721bf336 Mon Sep 17 00:00:00 2001 From: Jan Janssen Date: Sun, 10 Sep 2023 17:21:13 +0200 Subject: [PATCH 3/4] Update environment.yml --- .ci_support/environment.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/.ci_support/environment.yml b/.ci_support/environment.yml index cb757d539..1bf5e23e9 100644 --- a/.ci_support/environment.yml +++ b/.ci_support/environment.yml @@ -11,7 +11,7 @@ dependencies: - numpy =1.23.5 - phonopy =2.20.0 - plotly =5.16.1 -- pymatgen =2023.9.2 +- pymatgen =2023.9.10 - pyscal =2.10.18 - scikit-learn =1.3.0 - scipy =1.11.2 From 0598224adb30ce2d45ea872d8ef9db5856372ab7 Mon Sep 17 00:00:00 2001 From: Jan Janssen Date: Sun, 10 Sep 2023 17:21:32 +0200 Subject: [PATCH 4/4] Update setup.py --- setup.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/setup.py b/setup.py index 8a618cc38..7f625388a 100644 --- a/setup.py +++ b/setup.py @@ -36,13 +36,13 @@ 'scipy==1.11.2', # ase already requires scipy ], extras_require={ - "grainboundary": ['aimsgb==1.0.3', 'pymatgen==2023.9.2'], + "grainboundary": ['aimsgb==1.0.3', 'pymatgen==2023.9.10'], "pyscal": ['pyscal2==2.10.18'], "nglview": ['nglview==3.0.6'], "plotly": ['plotly==5.16.1'], "clusters": ['scikit-learn==1.3.0'], "symmetry": ['spglib==2.0.2'], - "surface": ['spglib==2.0.2', 'pymatgen==2023.9.2'], + "surface": ['spglib==2.0.2', 'pymatgen==2023.9.10'], "phonopy": ['phonopy==2.20.0', 'spglib==2.0.2'], "pyxtal": ['pyxtal==0.5.9'] },