From 634d51cec2c8b72049c9f8c0e4bb0133b4e24834 Mon Sep 17 00:00:00 2001 From: Glenn Johnson Date: Tue, 19 Apr 2022 07:30:28 -0500 Subject: ctffind: update to version 4.1.14 and add MKL support (#30095) - patch error in configure for 4.1.8 - use fftw-api - enable support for MKL FFT - add needed dependencies for libtiff and jpeg --- .../repos/builtin/packages/ctffind/configure.patch | 11 +++++++ .../repos/builtin/packages/ctffind/package.py | 37 ++++++++++++++++++++-- 2 files changed, 45 insertions(+), 3 deletions(-) create mode 100644 var/spack/repos/builtin/packages/ctffind/configure.patch diff --git a/var/spack/repos/builtin/packages/ctffind/configure.patch b/var/spack/repos/builtin/packages/ctffind/configure.patch new file mode 100644 index 0000000000..059fa2626c --- /dev/null +++ b/var/spack/repos/builtin/packages/ctffind/configure.patch @@ -0,0 +1,11 @@ +--- a/configure 2022-04-10 16:38:34.597174174 -0500 ++++ b/configure 2022-04-10 16:39:33.476364063 -0500 +@@ -2981,7 +2981,7 @@ + fi + + +-INPUT_CPPFLAGS="$CXXFLAGS" ++INPUT_CPPFLAGS="$CPPFLAGS" + INPUT_CXXFLAGS="$CXXFLAGS" + + ac_ext=c diff --git a/var/spack/repos/builtin/packages/ctffind/package.py b/var/spack/repos/builtin/packages/ctffind/package.py index bc565a351d..36ac2974c1 100644 --- a/var/spack/repos/builtin/packages/ctffind/package.py +++ b/var/spack/repos/builtin/packages/ctffind/package.py @@ -9,10 +9,41 @@ from spack import * class Ctffind(AutotoolsPackage): """Fast and accurate defocus estimation from electron micrographs.""" - homepage = "https://grigoriefflab.umassmed.edu/ctf_estimation_ctffind_ctftilt" + homepage = "https://grigoriefflab.umassmed.edu/ctffind4" url = "https://grigoriefflab.umassmed.edu/system/tdf?path=ctffind-4.1.8.tar.gz&file=1&type=node&id=26" - version('4.1.8', sha256='bec43c0b8d32878c740d6284ef6d9d22718c80dc62270be18d1d44e8b84b2729', extension='tar.gz') + version('4.1.14', + sha256='db17b2ebeb3c3b2b3764e42b820cd50d19ccccf6956c64257bfe5d5ba6b40cb5', + extension='tar.gz') + version('4.1.8', + sha256='bec43c0b8d32878c740d6284ef6d9d22718c80dc62270be18d1d44e8b84b2729', + extension='tar.gz') + + def url_for_version(self, version): + url = "https://grigoriefflab.umassmed.edu/system/tdf?path=ctffind-{0}.tar.gz&file=1&type=node&id=26" + return url.format(version) depends_on('wxwidgets') - depends_on('fftw@3:') + depends_on('fftw-api') + depends_on('libtiff') + depends_on('jpeg') + + patch('configure.patch', when='@4.1.8') + + def configure_args(self): + config_args = [] + + if '^mkl' in self.spec: + config_args.extend([ + '--enable-mkl', + 'CPPFLAGS=-I{0}'.format( + join_path( + self.spec['fftw-api'].headers.directories[0], 'fftw')), + ]) + else: + config_args.extend([ + '--disable-mkl', + 'CPPFLAGS={0}'.format(self.spec['fftw-api'].headers.include_flags), + ]) + + return config_args -- cgit v1.2.3-70-g09d2