Tweaks to requirements to compile rith the new ASE

lab-cosmo · Jun 4, 2024 · b55bbd4 · b55bbd4
1 parent d465ab1
commit b55bbd4
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Showing 8 changed files with 11 additions and 11 deletions.
diff --git a/docs/requirements.txt b/docs/requirements.txt
@@ -3,3 +3,4 @@ sphinx-gallery
 sphinx-toggleprompt
 furo
 git+https://github.com/lab-cosmo/chemiscope@sphinx-gallery
+matplotlib
diff --git a/examples/dos-align/environment.yml b/examples/dos-align/environment.yml
@@ -5,7 +5,7 @@ dependencies:
   - pip
   - rust > 1.65
   - pip:
-    - ase
+    - ase==3.22.1
     - matplotlib
     - rascaline @ git+https://github.com/Luthaf/rascaline@ca957642f512e141c7570e987aadc05c7ac71983
     - torch

diff --git a/examples/gaas-map/environment.yml b/examples/gaas-map/environment.yml
@@ -5,8 +5,8 @@ dependencies:
   - pip
   - rust >=1.65
   - pip:
-    - ase
-    - chemiscope
+    - ase==3.22.1
+    - chemiscope @ git+https://github.com/lab-cosmo/chemiscope@sphinx-gallery
     - matplotlib
     - metatensor
     - rascaline @ git+https://github.com/Luthaf/rascaline@ca957642f512e141c7570e987aadc05c7ac71983

diff --git a/examples/lode-linear/environment.yml b/examples/lode-linear/environment.yml
@@ -5,7 +5,7 @@ dependencies:
   - pip
   - rust >=1.65
   - pip:
-    - ase
+    - ase==3.22.1
     - equisolve @ git+https://github.com/lab-cosmo/equisolve.git@c858bedef4b2799eb445e4c92535ee387224089a
     - matplotlib
     - metatensor

diff --git a/examples/lpr/environment.yml b/examples/lpr/environment.yml
@@ -5,8 +5,7 @@ dependencies:
   - pip
   - rust >=1.65
   - pip:
-    - ase
-    - chemiscope
+    - ase==3.22.1
     - matplotlib
     - rascaline @ git+https://github.com/Luthaf/rascaline@5c2a79838bda0a52d0fde2fbe65941f4792c4cae
     - skmatter
diff --git a/examples/path-integrals/environment.yml b/examples/path-integrals/environment.yml
@@ -5,8 +5,8 @@ dependencies:
   - pip
   - lammps  
   - pip:
-    - ase
+    - ase==3.22.1
+    - chemiscope @ git+https://github.com/lab-cosmo/chemiscope@sphinx-gallery
     - ipi  
-    - chemiscope
     - matplotlib
     - skmatter
diff --git a/examples/roy-gch/roy-gch.py b/examples/roy-gch/roy-gch.py
@@ -5,7 +5,7 @@
 :Authors: Michele Ceriotti `@ceriottm <https://github.com/ceriottm/>`_
 
 This notebook analyzes the structures of 264 polymorphs of ROY, from
-`Beran et Al, Chemical Science
+ `Beran et Al, Chemical Science
 (2022) <https://doi.org/10.1039/D1SC06074K>`__, comparing the
 conventional density-energy convex hull with a Generalized Convex Hull
 (GCH) analysis (see `Anelli et al., Phys. Rev. Materials

diff --git a/examples/sample-selection/environment.yml b/examples/sample-selection/environment.yml
@@ -5,8 +5,8 @@ dependencies:
   - pip
   - rust >=1.65
   - pip:
-    - ase
-    - chemiscope
+    - ase==3.22.1
+    - chemiscope @ git+https://github.com/lab-cosmo/chemiscope@sphinx-gallery
     - matplotlib
     - metatensor
     - rascaline @ git+https://github.com/Luthaf/rascaline@ca957642f512e141c7570e987aadc05c7ac71983