diff --git a/gnu/packages/machine-learning.scm b/gnu/packages/machine-learning.scm index ed4fbf6eaf..9d3fa5bdb6 100644 --- a/gnu/packages/machine-learning.scm +++ b/gnu/packages/machine-learning.scm @@ -1076,7 +1076,7 @@ algorithm.") (define-public openmm (package (name "openmm") - (version "8.4.0") + (version "8.5.0") (source (origin (method git-fetch) @@ -1086,7 +1086,7 @@ algorithm.") (file-name (git-file-name name version)) (sha256 (base32 - "0lb1idyaas550fp6j8ykiy37lykkm7wzz5na70z27hj4m1m1sgdw")))) + "081yxldinf5ldrag4f50a7kx13fi9wzynq1zc1m619ap14y6nzrl")))) (build-system cmake-build-system) (arguments (list @@ -1097,13 +1097,13 @@ algorithm.") "-DOPENMM_BUILD_CUDA_LIB=FALSE") #:phases #~(modify-phases %standard-phases - (add-after 'unpack 'patch-python-build-system + (add-after 'unpack 'patch-wrappers-python-install (lambda _ (substitute* "wrappers/python/CMakeLists.txt" (("install --root=\\\\\\$ENV\\{DESTDIR\\}/") (string-append "install --prefix=" #$output " --root=/ --single-version-externally-managed"))))) - (add-after 'patch-python-build-system 'remove-shaky-tests + (add-after 'unpack 'remove-shaky-tests (lambda _ ;; These tests may unpredictably fail in CI, even passing ;; locally. @@ -1122,15 +1122,18 @@ algorithm.") (propagated-inputs (list python-numpy)) (native-inputs - (list doxygen gfortran opencl-headers python-cython swig-4.0)) + (list doxygen gfortran opencl-headers python-cython swig)) (home-page "https://github.com/openmm/openmm/") (synopsis "Toolkit for molecular simulation") (description "OpenMM is a toolkit for molecular simulation. It can be used either as a stand-alone application for running simulations, or as a library you call from your own code.") - ;; See https://github.com/openmm/openmm/issues/4278#issuecomment-1772982471 - (license license:expat))) + ;; All licenses are listed in . + (license (list license:cc-by3.0 ;PdbxReader + license:expat ;API, Reference Platform, CPU Platform, VkFFT + license:gpl3 ;Hilbert Curve + license:lgpl3)))) ;CUDA and OpenCL Platforms (define-public randomjungle (package