add metatrain@2026.2, vesin@0.5.2 and metatomic-torch@0.1.11 (spack#3598)

* mtt vesin metatomic

* fix

* fix

Author: RMeli

repos/spack_repo/builtin/packages/libmetatomic_torch/package.py

@@ -17,6 +17,7 @@ class LibmetatomicTorch(CMakePackage):
     maintainers("HaoZeke", "Luthaf", "RMeli")
     license("BSD-3-Clause", checked_by="HaoZeke")
 
+    version("0.1.11", sha256="cd500ab1371fb1d284b9ae514e7feaa205eca231437dd2d527fbf3852e673eef")
     version("0.1.10", sha256="c75b1a58fcc37ccef942d2457bfaa98d32a6b985202dec3d90e2b86d5bf66ecf")
     # 0.1.9 is skipped because it is partially broken
     version("0.1.8", sha256="358e426e762a45b3def076183bf6e1ecadbbd9089a9d6ddc5576907dbf5594fd")
@@ -26,9 +27,12 @@ class LibmetatomicTorch(CMakePackage):
     version("0.1.4", sha256="385ec8b8515d674b6a9f093f724792b2469e7ea2365ca596f574b64e38494f94")
     version("0.1.3", sha256="01a49e64e6c23d269fe935a557a60ae40092f4aad145fb6201caef26a9e0898b")
 
+    # metatomic-torch/CMakeLists.txt
+    depends_on("cmake@3.22:", when="@0.1.5:", type="build")
     depends_on("cmake@3.16:", type="build")
     depends_on("cxx", type="build")
     depends_on("c", type="build")
     depends_on("libmetatensor-torch@0.8.0:0.8", when="@0.1.4:")
     depends_on("libmetatensor-torch@0.7.6:0.7", when="@0.1.3")
+    depends_on("py-torch@2.3.0:", when="@0.1.9:")
     depends_on("py-torch@2.1.0:")

repos/spack_repo/builtin/packages/py_metatomic_torch/package.py

@@ -7,6 +7,7 @@
 from spack.package import *
 
 VERSIONS = {
+    "0.1.11": "540171dd03de84cb11b46a750bf016eb57dca756b5adf0383cefffbc9117e95f",
     "0.1.10": "a221154d789d7c03ba2e06da9653301fb1954f92d9c2608e8c19fd33dde84d2d",
     # 0.1.9 is skipped because it is partially broken
     "0.1.8": "8bb19a487d112ca6fe73a75fd28440e35b29f1d599a36fc41dc0f05fca783353",

repos/spack_repo/builtin/packages/py_metatrain/package.py

@@ -17,6 +17,7 @@ class PyMetatrain(PythonPackage):
 
     license("BSD-3-Clause", checked_by="RMeli")
 
+    version("2026.2", sha256="ca3078d269189113585e5296166f8d2d8a2a6d5a1fe0aa8e3bcd88afe9b8a487")
     version("2026.1", sha256="a86e2eb8d63e4a3c667ff783eb68f1a1dce6b2f204820d4bc7fabbbb165508df")
     version("2025.12", sha256="d0634934cc33d23189a9ef99f8c27e2e81cdfc248cf110d8df6c48255cb78765")
     version("2025.11", sha256="4c1a78feb359885f29d659f97ccf0e0676892ba1aa120cf58d0c7a0442161255")
@@ -42,13 +43,15 @@ class PyMetatrain(PythonPackage):
         depends_on("py-metatomic-torch@0.1.5:0.1", when="@2025.11")
         depends_on("py-metatomic-torch@0.1.6:0.1", when="@2025.12:")
         depends_on("py-metatomic-torch@0.1.7:0.1", when="@2026.1:")
+        depends_on("py-metatomic-torch@0.1.8:0.1", when="@2026.2:")
         depends_on("py-jsonschema")
         depends_on("py-pydantic@2.12:", when="@2025.12:")
         depends_on("py-typing-extensions", when="@2025.12:")
         depends_on("py-omegaconf@2.3.0:")
         depends_on("py-python-hostlist")
         depends_on("py-tqdm")
         depends_on("py-vesin")
+        depends_on("py-vesin@0.5.2:", when="@2026.2:")
 
     # soap-bpnn
     # pyproject.toml [project.optional-dependencies] soap-bpnn

repos/spack_repo/builtin/packages/py_vesin/package.py

@@ -18,6 +18,7 @@ class PyVesin(PythonPackage):
     maintainers("HaoZeke", "Luthaf", "RMeli")
     license("BSD-3-Clause", checked_by="HaoZeke")
 
+    version("0.5.2", sha256="d203c9e1fc749ee5375eb71f2521d2fa511a0f9587252766012695dce4be7c78")
     version("0.5.1", sha256="86afd7641319b21187155a8d9585bc134e79536897f28c62b69476627c1020ae")
     version("0.5.0", sha256="432322e51b214d6e13b056677424f54b250fb181bd726afb9b2d5b1b6fdbdb84")
     version("0.4.2", sha256="46bcfdc4d56490d43a6d8c5882b900b5cf49cff68b6ffb78d442ff85d0104d4f")
@@ -27,8 +28,9 @@ class PyVesin(PythonPackage):
     depends_on("python@3.9:", type=("build", "run"))
     depends_on("python@3.10:", type=("build", "run"), when="@0.4.2:")
 
+    # pyproject.toml
     depends_on("py-setuptools@77:", type="build")
-    depends_on("py-wheel@0.41:", type="build")
+    depends_on("py-wheel@0.41:", when="@:0.4", type="build")
     depends_on("cmake@3.16:", type="build")
 
     # pyproject.toml