WebYou are receiving this mail as a port that you maintain is failing to build on the FreeBSD package build server. Please investigate the failure and submit a PR to fix build. Webif "^fftw" in spec: args. append ("--with-fftw-prefix=%s" % spec ["fftw"]. prefix) elif "^mkl" in spec: # As of version 10.0, Octopus depends on fftw-api instead # of FFTW. If FFTW is not in the dependency tree, then # it ought to be MKL as it is currently the only providers # available for fftw-api. args. append ("FCFLAGS_FFTW=-I%s" % spec ...
octopus-in-spack/package.py at main · fangohr/octopus-in-spack
WebIf I remember correctly, the problem comes from the fact that you have used different values from the maximum angular momentum when compiling LIBINT with respect to what you are using in the CP2K arch file (-D__LIBINT_MAX_AM=7 -D__LIBDERIV_MAX_AM1=6). WebJan 22, 2024 · The FFTW package attempts to apply SIMD optimization flags when building FFTW. The flags selected are not controlled by variants to the fftw package spec. ... This commit forces FCFLAGS (respected by the mpif90 wrapper) to contain the appropriate PIC flag when building with that option and MPI support for all compilers. - Updates NetCDF … bus times from saltburn to redcar
Script for building octopus on MPCDF systems
WebFeb 1, 2016 · Users can pass their own FCFLAGS as part of their ./configure call — what you can do, if you want to default to those rather than what autoconf will default by itself, is to change configure.ac and compare the default flags (which to be honest I don't know for Fortran) to the current FCFLAGS, and if they match, replace FCFLAGS with your defaults. WebThe tests in the m4 are done with all the compile options, so it is not possible to know if this comes from LIBS, from some other library, or someone doing a mistake and specifying is … WebCray XC30, Kyoto U. To compile ERmod, it is necessary first to switch and add some modules as: module switch craype-haswell craype-istanbul module switch PrgEnv-cray PrgEnv-intel module add fftw. The second step is to re-compile vmdplugins with: cd vmdplugins # edit Makefile as follows: # From this position CC = icc CXX = icc SHLD = … cchp payer id