From 795360fe48dc380d37ae7bb17be6bff6ab1a24cf Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Mos=C3=A8=20Giordano?= Date: Fri, 2 Feb 2024 10:04:03 +0000 Subject: [PATCH] openmm: Apply patch use `FindCUDAToolkit` (#42437) --- var/spack/repos/builtin/packages/openmm/package.py | 11 ++++++++++- 1 file changed, 10 insertions(+), 1 deletion(-) diff --git a/var/spack/repos/builtin/packages/openmm/package.py b/var/spack/repos/builtin/packages/openmm/package.py index 9c8273cc6b6..1d9f96ffab6 100644 --- a/var/spack/repos/builtin/packages/openmm/package.py +++ b/var/spack/repos/builtin/packages/openmm/package.py @@ -27,7 +27,7 @@ class Openmm(CMakePackage, CudaPackage): install_targets = ["install", "PythonInstall"] depends_on("python@2.7:", type=("build", "run")) - depends_on("cmake@3.17:", type="build", when="@7.6.0:") + depends_on("cmake@3.17:", type="build", when="@7.5.1:") depends_on("cmake@3.1:", type="build") # https://github.com/openmm/openmm/issues/3317 depends_on("doxygen@:1.9.1", type="build", when="@:7.6.0") @@ -39,6 +39,15 @@ class Openmm(CMakePackage, CudaPackage): depends_on("cuda", when="+cuda", type=("build", "link", "run")) extends("python") + # Backport to + # `openmm@7.5.1+cuda`, which is the version currently required by + # `py-alphafold`. + patch( + "https://github.com/openmm/openmm/pull/3154.patch?full_index=1", + sha256="90bc01b34cf998e90220669b3ed55cd3c42000ad364234033aac631ed754e9bd", + when="@7.5.1+cuda", + ) + def patch(self): install_string = 'set(PYTHON_SETUP_COMMAND "install ' '--prefix={0}")'.format(self.prefix)