From 0bf12c03adad9fb6363cf1aad1dafbab8bf8041d Mon Sep 17 00:00:00 2001 From: Jan Janssen Date: Wed, 4 Oct 2023 11:41:45 +0200 Subject: [PATCH 1/9] Update setup.py --- setup.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/setup.py b/setup.py index 5ce7714f7..7676da318 100644 --- a/setup.py +++ b/setup.py @@ -36,13 +36,13 @@ 'scipy==1.11.3', # ase already requires scipy ], extras_require={ - "grainboundary": ['aimsgb==1.1.0', 'pymatgen==2023.9.25'], + "grainboundary": ['aimsgb==1.1.0', 'pymatgen==2023.10.3'], "pyscal": ['pyscal2==2.10.18'], "nglview": ['nglview==3.0.8'], "plotly": ['plotly==5.17.0'], "clusters": ['scikit-learn==1.3.1'], "symmetry": ['spglib==2.1.0'], - "surface": ['spglib==2.1.0', 'pymatgen==2023.9.25'], + "surface": ['spglib==2.1.0', 'pymatgen==2023.10.3'], "phonopy": ['phonopy==2.20.0', 'spglib==2.1.0'], "pyxtal": ['pyxtal==0.6.0'] }, From 2dadc1c1cbc45d8927f0ac044c3d0f5ac1fc8ecd Mon Sep 17 00:00:00 2001 From: Jan Janssen Date: Wed, 4 Oct 2023 11:42:01 +0200 Subject: [PATCH 2/9] 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 3778ff77d..10f8cfd37 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 =5.17.0 -- pymatgen =2023.9.25 +- pymatgen =2023.10.3 - pyscal =2.10.18 - scikit-learn =1.3.0 - scipy =1.11.3 From 8df1d58cb507b3a1203daa35811e9401f051296f Mon Sep 17 00:00:00 2001 From: Jan Janssen Date: Wed, 4 Oct 2023 16:26:06 +0200 Subject: [PATCH 3/9] 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 10f8cfd37..e356c180f 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 =5.17.0 -- pymatgen =2023.10.3 +- pymatgen =2023.10.4 - pyscal =2.10.18 - scikit-learn =1.3.0 - scipy =1.11.3 From 476c8fa17e1af20cd50c0a4f2c5aca41c86e2447 Mon Sep 17 00:00:00 2001 From: Jan Janssen Date: Wed, 4 Oct 2023 16:26:20 +0200 Subject: [PATCH 4/9] Update setup.py --- setup.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/setup.py b/setup.py index 7676da318..6e097c52d 100644 --- a/setup.py +++ b/setup.py @@ -36,13 +36,13 @@ 'scipy==1.11.3', # ase already requires scipy ], extras_require={ - "grainboundary": ['aimsgb==1.1.0', 'pymatgen==2023.10.3'], + "grainboundary": ['aimsgb==1.1.0', 'pymatgen==2023.10.4'], "pyscal": ['pyscal2==2.10.18'], "nglview": ['nglview==3.0.8'], "plotly": ['plotly==5.17.0'], "clusters": ['scikit-learn==1.3.1'], "symmetry": ['spglib==2.1.0'], - "surface": ['spglib==2.1.0', 'pymatgen==2023.10.3'], + "surface": ['spglib==2.1.0', 'pymatgen==2023.10.4'], "phonopy": ['phonopy==2.20.0', 'spglib==2.1.0'], "pyxtal": ['pyxtal==0.6.0'] }, From 6aecb0652127195d9571d2a44091ddb139acf474 Mon Sep 17 00:00:00 2001 From: Jan Janssen Date: Thu, 5 Oct 2023 10:19:55 +0200 Subject: [PATCH 5/9] Update environment.yml --- .ci_support/environment.yml | 3 +-- 1 file changed, 1 insertion(+), 2 deletions(-) diff --git a/.ci_support/environment.yml b/.ci_support/environment.yml index e356c180f..69392e707 100644 --- a/.ci_support/environment.yml +++ b/.ci_support/environment.yml @@ -8,7 +8,7 @@ dependencies: - codacy-coverage - matplotlib-base =3.8.0 - nglview =3.0.8 -- numpy =1.23.5 +- numpy =1.26.0 - phonopy =2.20.0 - plotly =5.17.0 - pymatgen =2023.10.4 @@ -17,4 +17,3 @@ dependencies: - scipy =1.11.3 - spglib =2.0.2 - sqsgenerator =0.2 -- pyxtal =0.6.0 From adb2d04635fc50f295e08abf8e3655865de0029d Mon Sep 17 00:00:00 2001 From: Jan Janssen Date: Thu, 5 Oct 2023 10:20:18 +0200 Subject: [PATCH 6/9] Update setup.py --- setup.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/setup.py b/setup.py index 6e097c52d..b1e62192e 100644 --- a/setup.py +++ b/setup.py @@ -32,7 +32,7 @@ install_requires=[ 'ase==3.22.1', 'matplotlib==3.8.0', # ase already requires matplotlib - 'numpy==1.23.5', # ase already requires numpy + 'numpy==1.26.0', # ase already requires numpy 'scipy==1.11.3', # ase already requires scipy ], extras_require={ From 90e7300d0db5ae4d1f5a93dee7c9927c1e4a1327 Mon Sep 17 00:00:00 2001 From: Jan Janssen Date: Thu, 5 Oct 2023 10:21:13 +0200 Subject: [PATCH 7/9] 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 69392e707..43e98be79 100644 --- a/.ci_support/environment.yml +++ b/.ci_support/environment.yml @@ -16,4 +16,4 @@ dependencies: - scikit-learn =1.3.0 - scipy =1.11.3 - spglib =2.0.2 -- sqsgenerator =0.2 +- sqsgenerator =0.3 From b02ae454d1253524d4992ac36db76488941c0db2 Mon Sep 17 00:00:00 2001 From: Jan Janssen Date: Thu, 5 Oct 2023 14:12:54 +0200 Subject: [PATCH 8/9] 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 43e98be79..3d6b81007 100644 --- a/.ci_support/environment.yml +++ b/.ci_support/environment.yml @@ -17,3 +17,4 @@ dependencies: - scipy =1.11.3 - spglib =2.0.2 - sqsgenerator =0.3 +- emmet-core >=0.69.2 # temporary fix From f85793b7e76c79da226aebe59447bc4ffa5d8586 Mon Sep 17 00:00:00 2001 From: Jan Janssen Date: Thu, 5 Oct 2023 14:18:05 +0200 Subject: [PATCH 9/9] 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 3d6b81007..c146edb9a 100644 --- a/.ci_support/environment.yml +++ b/.ci_support/environment.yml @@ -17,4 +17,4 @@ dependencies: - scipy =1.11.3 - spglib =2.0.2 - sqsgenerator =0.3 -- emmet-core >=0.69.2 # temporary fix +- emmet-core =0.69.5 # temporary fix