diff options
| author | Evan Bollig <ebbollig@amazon.com> | 2021-01-20 13:53:59 -0600 |
|---|---|---|
| committer | GitHub <noreply@github.com> | 2021-01-20 13:53:59 -0600 |
| commit | 2d9e36c4f00c64a6ba061d881826666017cfcee5 (patch) | |
| tree | 2ea3a7f3bcc403cb324076db5991ed120b377e90 /var | |
| parent | 28c0f20214c3c03569ca054a027351d782675020 (diff) | |
| download | spack-2d9e36c4f00c64a6ba061d881826666017cfcee5.tar.gz spack-2d9e36c4f00c64a6ba061d881826666017cfcee5.tar.bz2 spack-2d9e36c4f00c64a6ba061d881826666017cfcee5.tar.xz spack-2d9e36c4f00c64a6ba061d881826666017cfcee5.zip | |
updated relion package for new versions (#21155)
* updated relion for new versions
* Switched to checksum versions
* Enabled spack tracking for MKL and TBB when CPU optimizations are enabled
* Added variants to control MKL FFT and Ppatent feature
* Replaced tags with sha256 for older versions an and switched to virtual packages
Diffstat (limited to 'var')
| -rw-r--r-- | var/spack/repos/builtin/packages/relion/package.py | 20 |
1 files changed, 12 insertions, 8 deletions
diff --git a/var/spack/repos/builtin/packages/relion/package.py b/var/spack/repos/builtin/packages/relion/package.py index 26755baaad..a2799782f7 100644 --- a/var/spack/repos/builtin/packages/relion/package.py +++ b/var/spack/repos/builtin/packages/relion/package.py @@ -14,15 +14,14 @@ class Relion(CMakePackage, CudaPackage): homepage = "http://http://www2.mrc-lmb.cam.ac.uk/relion" git = "https://github.com/3dem/relion.git" + url = "https://github.com/3dem/relion/archive/3.1.0.zip" - # 3.1 is beta but referenced in published papers - # prefer stable 3.0 until no longer beta - version('3.1_beta', branch='ver3.1') + version('3.1.1', sha256='63e9b77e1ba9ec239375020ad6ff631424d1a5803cba5c608c09fd44d20b1618') + version('3.1.0', sha256='8a7e751fa6ebcdf9f36046499b3d88e170c4da86d5ff9ad1914b5f3d178867a8') # 3.0.8 latest release in 3.0 branch - # prefer for now - version('3.0.8', tag='3.0.8', preferred=True) - version('3.0.7', tag='3.0.7') + version('3.0.8', sha256='18cdd58e3a612d32413eb37e473fe8fbf06262d2ed72e42da20356f459260973') + version('3.0.7', sha256='a6d37248fc4d0bfc18f4badb7986dc1b6d6849baa2128b0b4dade13cb6991a99') # relion master contains development code # contains 3.0 branch code @@ -40,15 +39,19 @@ class Relion(CMakePackage, CudaPackage): description='The build type to build', values=('Debug', 'Release', 'RelWithDebInfo', 'Profiling', 'Benchmarking')) + variant('mklfft', default=True, description='Use MKL rather than FFTW for FFT') + variant('allow_ctf_in_sagd', default=True, description='Allow CTF-modulation in SAGD, as specified in Claim 1 of patent US10,282,513B2') depends_on('mpi') depends_on('cmake@3:', type='build') - depends_on('fftw precision=float,double') + depends_on('fftw precision=float,double', when='~mklfft') depends_on('fltk', when='+gui') depends_on('libtiff') depends_on('cuda', when='+cuda') depends_on('cuda@9:', when='@3: +cuda') + depends_on('tbb', when='~cuda') + depends_on('mkl', when='~cuda +mklfft') def cmake_args(self): @@ -60,6 +63,7 @@ class Relion(CMakePackage, CudaPackage): '-DGUI=%s' % ('+gui' in self.spec), '-DDoublePrec_CPU=%s' % ('+double' in self.spec), '-DDoublePrec_GPU=%s' % ('+double-gpu' in self.spec), + '-DALLOW_CTF_IN_SAGD=%s' % ('+allow_ctf_in_sagd' in self.spec), ] if '+cuda' in self.spec: @@ -73,7 +77,7 @@ class Relion(CMakePackage, CudaPackage): # these new values were added in relion 3 # do not seem to cause problems with < 3 else: - args += ['-DMKLFFT=ON', '-DFORCE_OWN_TBB=ON', '-DALTCPU=ON'] + args += ['-DMKLFFT=%s' % ('+mklfft' in self.spec), '-DALTCPU=ON'] return args |