From 2aecef2a14e98a1208b774e42135e0423a3bb24b Mon Sep 17 00:00:00 2001 From: Jan Janssen Date: Wed, 19 Jul 2023 14:12:06 -0600 Subject: [PATCH 01/23] Separate minimal environment and full environment --- .ci_support/environment_mini.yml | 10 ++++++++++ .github/workflows/mini.yml | 10 +--------- 2 files changed, 11 insertions(+), 9 deletions(-) create mode 100644 .ci_support/environment_mini.yml diff --git a/.ci_support/environment_mini.yml b/.ci_support/environment_mini.yml new file mode 100644 index 000000000..b49126baf --- /dev/null +++ b/.ci_support/environment_mini.yml @@ -0,0 +1,10 @@ +channels: +- conda-forge +dependencies: +- ase =3.22.1 +- coveralls +- coverage +- codacy-coverage +- matplotlib-base =3.7.1 +- numpy =1.24.3 +- scipy =1.10.1 \ No newline at end of file diff --git a/.github/workflows/mini.yml b/.github/workflows/mini.yml index 980a95508..069022437 100644 --- a/.github/workflows/mini.yml +++ b/.github/workflows/mini.yml @@ -19,15 +19,7 @@ jobs: steps: - uses: actions/checkout@v2 - name: Setup environment - run: | - cp .ci_support/environment.yml environment.yml - sed -i '/aimsgb/d' environment.yml - sed -i '/phonopy/d' environment.yml - sed -i '/pymatgen/d' environment.yml - sed -i '/pyscal/d' environment.yml - sed -i '/scikit-learn/d' environment.yml - sed -i '/spglib/d' environment.yml - sed -i '/sqsgenerator/d' environment.yml + run: cp .ci_support/environment_mini.yml environment.yml - name: Setup Mambaforge uses: conda-incubator/setup-miniconda@v2 with: From d58c6fe7469d75d880da3f46bed4e038998b3953 Mon Sep 17 00:00:00 2001 From: Jan Janssen Date: Wed, 19 Jul 2023 14:17:36 -0600 Subject: [PATCH 02/23] Add dependabot --- .github/dependabot.yml | 8 ++++++++ 1 file changed, 8 insertions(+) create mode 100644 .github/dependabot.yml diff --git a/.github/dependabot.yml b/.github/dependabot.yml new file mode 100644 index 000000000..46e2183a0 --- /dev/null +++ b/.github/dependabot.yml @@ -0,0 +1,8 @@ +version: 2 +updates: +- package-ecosystem: pip + directory: "/" + schedule: + interval: weekly + day: monday + open-pull-requests-limit: 10 \ No newline at end of file From 9050d57061df9594d6fa5b0e312d57843f64bec0 Mon Sep 17 00:00:00 2001 From: "dependabot[bot]" <49699333+dependabot[bot]@users.noreply.github.com> Date: Wed, 19 Jul 2023 20:19:00 +0000 Subject: [PATCH 03/23] Bump aimsgb from 0.1.3 to 1.0.1 Bumps [aimsgb](https://github.com/ksyang2013/aimsgb) from 0.1.3 to 1.0.1. - [Release notes](https://github.com/ksyang2013/aimsgb/releases) - [Commits](https://github.com/ksyang2013/aimsgb/commits/v1.0.1) --- updated-dependencies: - dependency-name: aimsgb dependency-type: direct:development update-type: version-update:semver-major ... Signed-off-by: dependabot[bot] --- setup.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/setup.py b/setup.py index 0d034a3d4..f0473dfac 100644 --- a/setup.py +++ b/setup.py @@ -36,7 +36,7 @@ 'scipy==1.10.1', # ase already requires scipy ], extras_require={ - "grainboundary": ['aimsgb==0.1.3', 'pymatgen==2023.5.31'], + "grainboundary": ['aimsgb==1.0.1', 'pymatgen==2023.5.31'], "pyscal": ['pyscal2==2.10.18'], "nglview": ['nglview==3.0.5'], "plotly": ['plotly==5.14.1'], From 1d538ae8431d5b39d45a7ba7ef64272033fca92f Mon Sep 17 00:00:00 2001 From: "dependabot[bot]" <49699333+dependabot[bot]@users.noreply.github.com> Date: Wed, 19 Jul 2023 20:19:06 +0000 Subject: [PATCH 04/23] Bump plotly from 5.14.1 to 5.15.0 Bumps [plotly](https://github.com/plotly/plotly.py) from 5.14.1 to 5.15.0. - [Release notes](https://github.com/plotly/plotly.py/releases) - [Changelog](https://github.com/plotly/plotly.py/blob/master/CHANGELOG.md) - [Commits](https://github.com/plotly/plotly.py/compare/v5.14.1...v5.15.0) --- updated-dependencies: - dependency-name: plotly dependency-type: direct:development update-type: version-update:semver-minor ... Signed-off-by: dependabot[bot] --- setup.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/setup.py b/setup.py index 0d034a3d4..f9892152b 100644 --- a/setup.py +++ b/setup.py @@ -39,7 +39,7 @@ "grainboundary": ['aimsgb==0.1.3', 'pymatgen==2023.5.31'], "pyscal": ['pyscal2==2.10.18'], "nglview": ['nglview==3.0.5'], - "plotly": ['plotly==5.14.1'], + "plotly": ['plotly==5.15.0'], "clusters": ['scikit-learn==1.2.2'], "symmetry": ['spglib==2.0.2'], "surface": ['spglib==2.0.2', 'pymatgen==2023.5.31'], From 32ab2ed534f5800f66101fac93b14bfe4f6c7387 Mon Sep 17 00:00:00 2001 From: "dependabot[bot]" <49699333+dependabot[bot]@users.noreply.github.com> Date: Wed, 19 Jul 2023 20:19:15 +0000 Subject: [PATCH 05/23] Bump phonopy from 2.19.1 to 2.20.0 Bumps [phonopy](https://phonopy.github.io/phonopy/) from 2.19.1 to 2.20.0. --- updated-dependencies: - dependency-name: phonopy dependency-type: direct:development update-type: version-update:semver-minor ... Signed-off-by: dependabot[bot] --- setup.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/setup.py b/setup.py index 0d034a3d4..f435bdd5c 100644 --- a/setup.py +++ b/setup.py @@ -43,7 +43,7 @@ "clusters": ['scikit-learn==1.2.2'], "symmetry": ['spglib==2.0.2'], "surface": ['spglib==2.0.2', 'pymatgen==2023.5.31'], - "phonopy": ['phonopy==2.19.1', 'spglib==2.0.2'], + "phonopy": ['phonopy==2.20.0', 'spglib==2.0.2'], }, cmdclass=versioneer.get_cmdclass(), ) From 8c6e60f2df8140752fd36da40aa588aa55d8ec87 Mon Sep 17 00:00:00 2001 From: "dependabot[bot]" <49699333+dependabot[bot]@users.noreply.github.com> Date: Wed, 19 Jul 2023 20:19:29 +0000 Subject: [PATCH 06/23] Bump numpy from 1.24.3 to 1.25.1 Bumps [numpy](https://github.com/numpy/numpy) from 1.24.3 to 1.25.1. - [Release notes](https://github.com/numpy/numpy/releases) - [Changelog](https://github.com/numpy/numpy/blob/main/doc/RELEASE_WALKTHROUGH.rst) - [Commits](https://github.com/numpy/numpy/compare/v1.24.3...v1.25.1) --- updated-dependencies: - dependency-name: numpy dependency-type: direct:production update-type: version-update:semver-minor ... Signed-off-by: dependabot[bot] --- setup.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/setup.py b/setup.py index 0d034a3d4..889398444 100644 --- a/setup.py +++ b/setup.py @@ -32,7 +32,7 @@ install_requires=[ 'ase==3.22.1', 'matplotlib==3.7.1', # ase already requires matplotlib - 'numpy==1.24.3', # ase already requires numpy + 'numpy==1.25.1', # ase already requires numpy 'scipy==1.10.1', # ase already requires scipy ], extras_require={ From 5345ccfa5ffc5b998821cf5553fcdd5e3fc3113f Mon Sep 17 00:00:00 2001 From: "dependabot[bot]" <49699333+dependabot[bot]@users.noreply.github.com> Date: Wed, 19 Jul 2023 20:19:36 +0000 Subject: [PATCH 07/23] Bump scikit-learn from 1.2.2 to 1.3.0 Bumps [scikit-learn](https://github.com/scikit-learn/scikit-learn) from 1.2.2 to 1.3.0. - [Release notes](https://github.com/scikit-learn/scikit-learn/releases) - [Commits](https://github.com/scikit-learn/scikit-learn/compare/1.2.2...1.3.0) --- updated-dependencies: - dependency-name: scikit-learn dependency-type: direct:development update-type: version-update:semver-minor ... Signed-off-by: dependabot[bot] --- setup.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/setup.py b/setup.py index 0d034a3d4..7f6f466e3 100644 --- a/setup.py +++ b/setup.py @@ -40,7 +40,7 @@ "pyscal": ['pyscal2==2.10.18'], "nglview": ['nglview==3.0.5'], "plotly": ['plotly==5.14.1'], - "clusters": ['scikit-learn==1.2.2'], + "clusters": ['scikit-learn==1.3.0'], "symmetry": ['spglib==2.0.2'], "surface": ['spglib==2.0.2', 'pymatgen==2023.5.31'], "phonopy": ['phonopy==2.19.1', 'spglib==2.0.2'], From 2390f621eaa4d3f29da3b0b1e478cb0b3462534a Mon Sep 17 00:00:00 2001 From: "dependabot[bot]" <49699333+dependabot[bot]@users.noreply.github.com> Date: Wed, 19 Jul 2023 20:19:48 +0000 Subject: [PATCH 08/23] Bump pymatgen from 2023.5.31 to 2023.7.17 Bumps [pymatgen](https://github.com/materialsproject/pymatgen) from 2023.5.31 to 2023.7.17. - [Release notes](https://github.com/materialsproject/pymatgen/releases) - [Changelog](https://github.com/materialsproject/pymatgen/blob/master/CHANGES.rst) - [Commits](https://github.com/materialsproject/pymatgen/compare/v2023.05.31...v2023.7.17) --- 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 0d034a3d4..0616eb1de 100644 --- a/setup.py +++ b/setup.py @@ -36,13 +36,13 @@ 'scipy==1.10.1', # ase already requires scipy ], extras_require={ - "grainboundary": ['aimsgb==0.1.3', 'pymatgen==2023.5.31'], + "grainboundary": ['aimsgb==0.1.3', 'pymatgen==2023.7.17'], "pyscal": ['pyscal2==2.10.18'], "nglview": ['nglview==3.0.5'], "plotly": ['plotly==5.14.1'], "clusters": ['scikit-learn==1.2.2'], "symmetry": ['spglib==2.0.2'], - "surface": ['spglib==2.0.2', 'pymatgen==2023.5.31'], + "surface": ['spglib==2.0.2', 'pymatgen==2023.7.17'], "phonopy": ['phonopy==2.19.1', 'spglib==2.0.2'], }, cmdclass=versioneer.get_cmdclass(), From e17a674438a3baefa6eb48c3a74e79428868934e Mon Sep 17 00:00:00 2001 From: "dependabot[bot]" <49699333+dependabot[bot]@users.noreply.github.com> Date: Wed, 19 Jul 2023 20:19:55 +0000 Subject: [PATCH 09/23] Bump nglview from 3.0.5 to 3.0.6 Bumps [nglview](https://github.com/arose/nglview) from 3.0.5 to 3.0.6. - [Release notes](https://github.com/arose/nglview/releases) - [Changelog](https://github.com/nglviewer/nglview/blob/master/CHANGELOG.md) - [Commits](https://github.com/arose/nglview/compare/v3.0.5...v3.0.6) --- updated-dependencies: - dependency-name: nglview dependency-type: direct:development update-type: version-update:semver-patch ... Signed-off-by: dependabot[bot] --- setup.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/setup.py b/setup.py index 0d034a3d4..c7ad6329e 100644 --- a/setup.py +++ b/setup.py @@ -38,7 +38,7 @@ extras_require={ "grainboundary": ['aimsgb==0.1.3', 'pymatgen==2023.5.31'], "pyscal": ['pyscal2==2.10.18'], - "nglview": ['nglview==3.0.5'], + "nglview": ['nglview==3.0.6'], "plotly": ['plotly==5.14.1'], "clusters": ['scikit-learn==1.2.2'], "symmetry": ['spglib==2.0.2'], From 98386a5fbbdb7579c9799ae38a3e05ddac87634a Mon Sep 17 00:00:00 2001 From: "dependabot[bot]" <49699333+dependabot[bot]@users.noreply.github.com> Date: Wed, 19 Jul 2023 20:20:08 +0000 Subject: [PATCH 10/23] Bump matplotlib from 3.7.1 to 3.7.2 Bumps [matplotlib](https://github.com/matplotlib/matplotlib) from 3.7.1 to 3.7.2. - [Release notes](https://github.com/matplotlib/matplotlib/releases) - [Commits](https://github.com/matplotlib/matplotlib/compare/v3.7.1...v3.7.2) --- updated-dependencies: - dependency-name: matplotlib dependency-type: direct:production update-type: version-update:semver-patch ... Signed-off-by: dependabot[bot] --- setup.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/setup.py b/setup.py index 0d034a3d4..70feab0d3 100644 --- a/setup.py +++ b/setup.py @@ -31,7 +31,7 @@ packages=find_packages(exclude=["*tests*", "*docs*", "*binder*", "*conda*", "*notebooks*", "*.ci_support*"]), install_requires=[ 'ase==3.22.1', - 'matplotlib==3.7.1', # ase already requires matplotlib + 'matplotlib==3.7.2', # ase already requires matplotlib 'numpy==1.24.3', # ase already requires numpy 'scipy==1.10.1', # ase already requires scipy ], From 41ceaf16c4eb4da84c708e179483b6636a2968d3 Mon Sep 17 00:00:00 2001 From: Jan Janssen Date: Wed, 19 Jul 2023 14:20:11 -0600 Subject: [PATCH 11/23] 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 94a73ba6b..770fbb426 100644 --- a/.ci_support/environment.yml +++ b/.ci_support/environment.yml @@ -1,7 +1,7 @@ channels: - conda-forge dependencies: -- aimsgb =0.1.3 +- aimsgb =1.0.1 - ase =3.22.1 - coveralls - coverage From 4422f4045c1a4416cbddf38d8ab26654a993bb10 Mon Sep 17 00:00:00 2001 From: Jan Janssen Date: Wed, 19 Jul 2023 14:20:52 -0600 Subject: [PATCH 12/23] Update environment.yml --- .ci_support/environment.yml | 1 + 1 file changed, 1 insertion(+) diff --git a/.ci_support/environment.yml b/.ci_support/environment.yml index 94a73ba6b..a5a5777ab 100644 --- a/.ci_support/environment.yml +++ b/.ci_support/environment.yml @@ -9,6 +9,7 @@ dependencies: - matplotlib-base =3.7.1 - numpy =1.24.3 - phonopy =2.19.1 +- plotly =5.15.0 - pymatgen =2023.5.31 - pyscal =2.10.18 - scikit-learn =1.2.2 From 69ff51af6361e645f55b733d886503c0127295ff Mon Sep 17 00:00:00 2001 From: Jan Janssen Date: Wed, 19 Jul 2023 14:21:11 -0600 Subject: [PATCH 13/23] 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 94a73ba6b..e61f50b72 100644 --- a/.ci_support/environment.yml +++ b/.ci_support/environment.yml @@ -8,7 +8,7 @@ dependencies: - codacy-coverage - matplotlib-base =3.7.1 - numpy =1.24.3 -- phonopy =2.19.1 +- phonopy =2.20.0 - pymatgen =2023.5.31 - pyscal =2.10.18 - scikit-learn =1.2.2 From c62d299cd304f4f7a2548f2874a0de55758be8e2 Mon Sep 17 00:00:00 2001 From: Jan Janssen Date: Wed, 19 Jul 2023 14:21:29 -0600 Subject: [PATCH 14/23] 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 94a73ba6b..0c5d03171 100644 --- a/.ci_support/environment.yml +++ b/.ci_support/environment.yml @@ -7,7 +7,7 @@ dependencies: - coverage - codacy-coverage - matplotlib-base =3.7.1 -- numpy =1.24.3 +- numpy =1.25.1 - phonopy =2.19.1 - pymatgen =2023.5.31 - pyscal =2.10.18 From 7e685a56983ec74c11fe2f42e26fc7df87b724b3 Mon Sep 17 00:00:00 2001 From: Jan Janssen Date: Wed, 19 Jul 2023 14:21:51 -0600 Subject: [PATCH 15/23] 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 94a73ba6b..cd0c4af6b 100644 --- a/.ci_support/environment.yml +++ b/.ci_support/environment.yml @@ -11,7 +11,7 @@ dependencies: - phonopy =2.19.1 - pymatgen =2023.5.31 - pyscal =2.10.18 -- scikit-learn =1.2.2 +- scikit-learn =1.3.0 - scipy =1.10.1 - spglib =2.0.2 - sqsgenerator =0.2 From 4e085e94452bc4ef25fada3e8b6306eb0ea5c7ec Mon Sep 17 00:00:00 2001 From: Jan Janssen Date: Wed, 19 Jul 2023 14:22:23 -0600 Subject: [PATCH 16/23] 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 94a73ba6b..60fdbc826 100644 --- a/.ci_support/environment.yml +++ b/.ci_support/environment.yml @@ -9,7 +9,7 @@ dependencies: - matplotlib-base =3.7.1 - numpy =1.24.3 - phonopy =2.19.1 -- pymatgen =2023.5.31 +- pymatgen =2023.7.17 - pyscal =2.10.18 - scikit-learn =1.2.2 - scipy =1.10.1 From 1893e52a229fcf032acfb2163e0baa2cc8373a2d Mon Sep 17 00:00:00 2001 From: Jan Janssen Date: Wed, 19 Jul 2023 14:22:55 -0600 Subject: [PATCH 17/23] Update environment.yml --- .ci_support/environment.yml | 1 + 1 file changed, 1 insertion(+) diff --git a/.ci_support/environment.yml b/.ci_support/environment.yml index 94a73ba6b..b3b4fd45f 100644 --- a/.ci_support/environment.yml +++ b/.ci_support/environment.yml @@ -7,6 +7,7 @@ dependencies: - coverage - codacy-coverage - matplotlib-base =3.7.1 +- nglview =3.0.6 - numpy =1.24.3 - phonopy =2.19.1 - pymatgen =2023.5.31 From 69d0fe0ba70d1a2c36ba296001b4157cf30972d7 Mon Sep 17 00:00:00 2001 From: Jan Janssen Date: Wed, 19 Jul 2023 14:23:12 -0600 Subject: [PATCH 18/23] 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 94a73ba6b..e58bb986c 100644 --- a/.ci_support/environment.yml +++ b/.ci_support/environment.yml @@ -6,7 +6,7 @@ dependencies: - coveralls - coverage - codacy-coverage -- matplotlib-base =3.7.1 +- matplotlib-base =3.7.2 - numpy =1.24.3 - phonopy =2.19.1 - pymatgen =2023.5.31 From 109267b08c3842f13947d2b7558bdfb7025c285e Mon Sep 17 00:00:00 2001 From: Jan Janssen Date: Wed, 19 Jul 2023 14:48:19 -0600 Subject: [PATCH 19/23] Drop Python 3.8 --- .github/workflows/deploy.yml | 2 +- .github/workflows/pypicheck.yml | 2 +- .github/workflows/unittests.yml | 5 ----- 3 files changed, 2 insertions(+), 7 deletions(-) diff --git a/.github/workflows/deploy.yml b/.github/workflows/deploy.yml index 9b8559a16..e24827f76 100644 --- a/.github/workflows/deploy.yml +++ b/.github/workflows/deploy.yml @@ -16,7 +16,7 @@ jobs: - uses: actions/checkout@v2 - uses: actions/setup-python@v2 with: - python-version: "3.10" + python-version: "3.11" - name: Install dependencies run: >- diff --git a/.github/workflows/pypicheck.yml b/.github/workflows/pypicheck.yml index 6cc28ed1b..da2583c4f 100644 --- a/.github/workflows/pypicheck.yml +++ b/.github/workflows/pypicheck.yml @@ -20,7 +20,7 @@ jobs: - name: Setup Mambaforge uses: conda-incubator/setup-miniconda@v2 with: - python-version: '3.10' + python-version: '3.11' miniforge-variant: Mambaforge channels: conda-forge channel-priority: strict diff --git a/.github/workflows/unittests.yml b/.github/workflows/unittests.yml index 085e17db1..6d96f23b1 100644 --- a/.github/workflows/unittests.yml +++ b/.github/workflows/unittests.yml @@ -44,11 +44,6 @@ jobs: label: linux-64-py-3-9 prefix: /usr/share/miniconda3/envs/my-env - - operating-system: ubuntu-latest - python-version: '3.8' - label: linux-64-py-3-8 - prefix: /usr/share/miniconda3/envs/my-env - steps: - uses: actions/checkout@v2 - name: Setup environment From 2020259d96bbf36023890b038c7aed3c18f95302 Mon Sep 17 00:00:00 2001 From: "dependabot[bot]" <49699333+dependabot[bot]@users.noreply.github.com> Date: Wed, 19 Jul 2023 22:30:35 +0000 Subject: [PATCH 20/23] Bump scipy from 1.10.1 to 1.11.1 Bumps [scipy](https://github.com/scipy/scipy) from 1.10.1 to 1.11.1. - [Release notes](https://github.com/scipy/scipy/releases) - [Commits](https://github.com/scipy/scipy/compare/v1.10.1...v1.11.1) --- updated-dependencies: - dependency-name: scipy dependency-type: direct:production update-type: version-update:semver-minor ... Signed-off-by: dependabot[bot] --- setup.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/setup.py b/setup.py index ea4eafef9..f1872ac62 100644 --- a/setup.py +++ b/setup.py @@ -33,7 +33,7 @@ 'ase==3.22.1', 'matplotlib==3.7.2', # ase already requires matplotlib 'numpy==1.24.3', # ase already requires numpy - 'scipy==1.10.1', # ase already requires scipy + 'scipy==1.11.1', # ase already requires scipy ], extras_require={ "grainboundary": ['aimsgb==1.0.1', 'pymatgen==2023.5.31'], From ebf1fc487752fc83188da22c219e8d7da8f9ceb4 Mon Sep 17 00:00:00 2001 From: Jan Janssen Date: Wed, 19 Jul 2023 16:33:42 -0600 Subject: [PATCH 21/23] 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 4aa6414b6..a0446802d 100644 --- a/.ci_support/environment.yml +++ b/.ci_support/environment.yml @@ -13,6 +13,6 @@ dependencies: - pymatgen =2023.5.31 - pyscal =2.10.18 - scikit-learn =1.3.0 -- scipy =1.10.1 +- scipy =1.11.1 - spglib =2.0.2 - sqsgenerator =0.2 From 4fcb954807860c34a7cf8d1ce3c638d667c17cca Mon Sep 17 00:00:00 2001 From: Jan Janssen Date: Wed, 19 Jul 2023 16:33:53 -0600 Subject: [PATCH 22/23] Update environment_mini.yml --- .ci_support/environment_mini.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/.ci_support/environment_mini.yml b/.ci_support/environment_mini.yml index b49126baf..60d8c8911 100644 --- a/.ci_support/environment_mini.yml +++ b/.ci_support/environment_mini.yml @@ -7,4 +7,4 @@ dependencies: - codacy-coverage - matplotlib-base =3.7.1 - numpy =1.24.3 -- scipy =1.10.1 \ No newline at end of file +- scipy =1.11.1 From 326588c5673e58a96be29c08174e1cbb35be0bc6 Mon Sep 17 00:00:00 2001 From: Jan Janssen Date: Wed, 19 Jul 2023 19:34:54 -0600 Subject: [PATCH 23/23] Update environment_mini.yml --- .ci_support/environment_mini.yml | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/.ci_support/environment_mini.yml b/.ci_support/environment_mini.yml index 60d8c8911..838121d8f 100644 --- a/.ci_support/environment_mini.yml +++ b/.ci_support/environment_mini.yml @@ -5,6 +5,6 @@ dependencies: - coveralls - coverage - codacy-coverage -- matplotlib-base =3.7.1 -- numpy =1.24.3 +- matplotlib-base =3.7.2 +- numpy =1.25.1 - scipy =1.11.1