diff options
Diffstat (limited to 'var/spack/repos/builtin/packages/openmm/package.py')
| -rw-r--r-- | var/spack/repos/builtin/packages/openmm/package.py | 47 |
1 files changed, 23 insertions, 24 deletions
diff --git a/var/spack/repos/builtin/packages/openmm/package.py b/var/spack/repos/builtin/packages/openmm/package.py index 8759acaff1..95b54d6e6f 100644 --- a/var/spack/repos/builtin/packages/openmm/package.py +++ b/var/spack/repos/builtin/packages/openmm/package.py @@ -14,38 +14,37 @@ class Openmm(CMakePackage, CudaPackage): bindings for Python, C, C++, and even Fortran. The code is open source and actively maintained on Github, licensed under MIT and LGPL. Part of the Omnia suite of tools for predictive biomolecular - simulation. """ + simulation.""" homepage = "https://openmm.org/" - url = "https://github.com/openmm/openmm/archive/7.4.1.tar.gz" + url = "https://github.com/openmm/openmm/archive/7.4.1.tar.gz" - version('7.5.0', sha256='516748b4f1ae936c4d70cc6401174fc9384244c65cd3aef27bc2c53eac6d6de5') - version('7.4.1', sha256='e8102b68133e6dcf7fcf29bc76a11ea54f30af71d8a7705aec0aee957ebe3a6d') + version("7.5.0", sha256="516748b4f1ae936c4d70cc6401174fc9384244c65cd3aef27bc2c53eac6d6de5") + version("7.4.1", sha256="e8102b68133e6dcf7fcf29bc76a11ea54f30af71d8a7705aec0aee957ebe3a6d") - install_targets = ['install', 'PythonInstall'] + install_targets = ["install", "PythonInstall"] - depends_on('python@2.7:', type=('build', 'run')) - depends_on('cmake@3.1:', type='build') - depends_on('doxygen', type='build') - depends_on('swig', type='build') - depends_on('fftw') - depends_on('py-cython', type='build') - depends_on('py-numpy', type=('build', 'run')) - depends_on('cuda', when='+cuda', type=('build', 'link', 'run')) - extends('python') + depends_on("python@2.7:", type=("build", "run")) + depends_on("cmake@3.1:", type="build") + depends_on("doxygen", type="build") + depends_on("swig", type="build") + depends_on("fftw") + depends_on("py-cython", type="build") + depends_on("py-numpy", type=("build", "run")) + depends_on("cuda", when="+cuda", type=("build", "link", "run")) + extends("python") def patch(self): - install_string = "set(PYTHON_SETUP_COMMAND \"install " \ - "--prefix={0}\")".format(self.prefix) + install_string = 'set(PYTHON_SETUP_COMMAND "install ' '--prefix={0}")'.format(self.prefix) - filter_file(r'set\(PYTHON_SETUP_COMMAND \"install.*', - install_string, - 'wrappers/python/CMakeLists.txt') + filter_file( + r"set\(PYTHON_SETUP_COMMAND \"install.*", + install_string, + "wrappers/python/CMakeLists.txt", + ) def setup_run_environment(self, env): spec = self.spec - if '+cuda' in spec: - env.set('OPENMM_CUDA_COMPILER', - self.spec['cuda'].prefix.bin.nvcc) - env.prepend_path('PATH', - os.path.dirname(self.compiler.cc)) + if "+cuda" in spec: + env.set("OPENMM_CUDA_COMPILER", self.spec["cuda"].prefix.bin.nvcc) + env.prepend_path("PATH", os.path.dirname(self.compiler.cc)) |