From a2c5910b221e7a619713c929b1b70dc300d81ce7 Mon Sep 17 00:00:00 2001 From: Rhys Goodall Date: Thu, 24 Jul 2025 22:45:11 -0400 Subject: [PATCH 1/3] Update citation.cff Signed-off-by: Rhys Goodall --- citation.cff | 12 +++--------- 1 file changed, 3 insertions(+), 9 deletions(-) diff --git a/citation.cff b/citation.cff index c9898e033..6c194fd9d 100644 --- a/citation.cff +++ b/citation.cff @@ -1,6 +1,5 @@ cff-version: 1.2.0 -title: Torch-Sim -message: If you use this software, please cite it as below. +message: "If you use this software, please cite it as below." authors: - family-names: Gangan given-names: Abhijeet S. @@ -14,11 +13,6 @@ authors: given-names: Adeesh - family-names: Falletta given-names: Stefano -license: MIT -license-url: https://github.com/Radical-AI/torch-sim/blob/main/LICENSE -repository-code: https://github.com/Radical-AI/torch-sim -type: software -url: https://github.com/Radical-AI/torch-sim -doi: 10.5281/zenodo.7486816 -version: 0.1.0 +title: "torch-sim" date-released: 2025-04-02 +url: "https://github.com/Radical-AI/torch-sim" From 0555ce8fa8b68fb6a0a08b342715c86d85cb08ed Mon Sep 17 00:00:00 2001 From: Rhys Goodall Date: Thu, 24 Jul 2025 22:57:15 -0400 Subject: [PATCH 2/3] Apply suggestions from code review Signed-off-by: Rhys Goodall --- citation.cff | 6 +++++- 1 file changed, 5 insertions(+), 1 deletion(-) diff --git a/citation.cff b/citation.cff index 6c194fd9d..79621c6de 100644 --- a/citation.cff +++ b/citation.cff @@ -1,4 +1,5 @@ cff-version: 1.2.0 +title: "torch-sim" message: "If you use this software, please cite it as below." authors: - family-names: Gangan @@ -13,6 +14,9 @@ authors: given-names: Adeesh - family-names: Falletta given-names: Stefano -title: "torch-sim" +license: MIT +license-url: "https://github.com/Radical-AI/torch-sim/blob/main/LICENSE" +repository-code: "https://github.com/Radical-AI/torch-sim" +type: "software" date-released: 2025-04-02 url: "https://github.com/Radical-AI/torch-sim" From 1131f841363a8a2be31f6e40a445857d4ce810ab Mon Sep 17 00:00:00 2001 From: Rhys Goodall Date: Thu, 24 Jul 2025 23:02:04 -0400 Subject: [PATCH 3/3] fix: pin pmv in scripts to prevent breaking changes impacting CI here --- citation.cff | 12 ++++++------ docs/_static/draw_pkg_treemap.py | 2 +- examples/scripts/6_Phonons/6.1_Phonons_MACE.py | 2 +- examples/scripts/6_Phonons/6.2_QuasiHarmonic_MACE.py | 2 +- 4 files changed, 9 insertions(+), 9 deletions(-) diff --git a/citation.cff b/citation.cff index 79621c6de..79eb79569 100644 --- a/citation.cff +++ b/citation.cff @@ -1,6 +1,6 @@ cff-version: 1.2.0 -title: "torch-sim" -message: "If you use this software, please cite it as below." +title: TorchSim +message: If you use this software, please cite it as below. authors: - family-names: Gangan given-names: Abhijeet S. @@ -15,8 +15,8 @@ authors: - family-names: Falletta given-names: Stefano license: MIT -license-url: "https://github.com/Radical-AI/torch-sim/blob/main/LICENSE" -repository-code: "https://github.com/Radical-AI/torch-sim" -type: "software" +license-url: https://github.com/Radical-AI/torch-sim/blob/main/LICENSE +repository-code: https://github.com/Radical-AI/torch-sim +url: https://github.com/Radical-AI/torch-sim +type: software date-released: 2025-04-02 -url: "https://github.com/Radical-AI/torch-sim" diff --git a/docs/_static/draw_pkg_treemap.py b/docs/_static/draw_pkg_treemap.py index 44775ead6..3a9833874 100644 --- a/docs/_static/draw_pkg_treemap.py +++ b/docs/_static/draw_pkg_treemap.py @@ -5,7 +5,7 @@ # /// script # dependencies = [ -# "pymatviz>=0.16.0", +# "pymatviz==0.16.0", # "plotly!=6.2.0", # TODO remove pin pending https://github.com/plotly/plotly.py/issues/5253#issuecomment-3016615635 # ] # /// diff --git a/examples/scripts/6_Phonons/6.1_Phonons_MACE.py b/examples/scripts/6_Phonons/6.1_Phonons_MACE.py index f88fd351d..38a50d60a 100644 --- a/examples/scripts/6_Phonons/6.1_Phonons_MACE.py +++ b/examples/scripts/6_Phonons/6.1_Phonons_MACE.py @@ -4,7 +4,7 @@ # dependencies = [ # "mace-torch>=0.3.12", # "phonopy>=2.35", -# "pymatviz>=0.16", +# "pymatviz==0.16", # "seekpath", # "ase", # "plotly!=6.2.0", # TODO remove pin pending https://github.com/plotly/plotly.py/issues/5253#issuecomment-3016615635 diff --git a/examples/scripts/6_Phonons/6.2_QuasiHarmonic_MACE.py b/examples/scripts/6_Phonons/6.2_QuasiHarmonic_MACE.py index 0fdea6b46..fe1c041bc 100644 --- a/examples/scripts/6_Phonons/6.2_QuasiHarmonic_MACE.py +++ b/examples/scripts/6_Phonons/6.2_QuasiHarmonic_MACE.py @@ -6,7 +6,7 @@ # dependencies = [ # "mace-torch>=0.3.12", # "phonopy>=2.35", -# "pymatviz>=0.16", +# "pymatviz==0.16", # "plotly!=6.2.0", # TODO remove pin pending https://github.com/plotly/plotly.py/issues/5253#issuecomment-3016615635 # ] # ///