Hi Alan, That's what I would have guessed, but somehow I thought that the OpenBLAS module might take care of setting the variable - I had assumed OPENBLASROOT was something fairly generic, but after searching a bit more, I get the impression that it is mainly an (Open)Molcas thing. I suppose when OpenBLAS comes from the package manager, then everything is just under /usr and there is no need for programs using it to have a dedicated variable.
Cheers, Loris Alan O'Cais <a.oc...@fz-juelich.de> writes: > It looks like > configopts = "-DMPI_ENABLE=ON -DOPENMP_ENABLE=ON -DLINALG=OpenBLAS > -DOPENBLASROOT=$EBROOTOPENBLAS" > would be enough (seems like it just wants to know where it is). > > On Tue, 28 May 2019 at 10:29, Loris Bennett <loris.benn...@fu-berlin.de> > wrote: > > Hi, > > I'm writing an Easyconfig for OpenMolcas and am getting the error: > > -- Using OpenBLAS LAPACK+BLAS libraries > CMake Error at CMakeLists.txt:1300 (message): > You must set environment variable OPENBLASROOT, or specify > -DOPENBLASROOT=/path/to/openblas_dir when running cmake. > > What does that imply? Do I need to specify OpenBLAS explicitly as a > dependency? > > My proto-easyconfig is: > > easyblock = 'CMakeMake' > > name = 'OpenMolcas' > version = '18.09' > > homepage = 'https://gitlab.com/Molcas/OpenMolcas' > description = """"OpenMolcas is a quantum chemistry software package. > > The key feature of OpenMolcas is the multiconfigurational approach to the > electronic structure.""" > > toolchain = {'name': 'foss', 'version': '2018b'} > toolchainopts = {'usempi': True, 'openmp': True} > > source_urls = ['https://gitlab.com/Molcas/OpenMolcas/-/archive/v%(version)s'] > sources = ['%(name)s-v%(version)s.tar.gz'] > > builddependencies = [ > ('CMake', '3.12.1'), > ('pkg-config', '0.29.2') > ] > > dependencies = [ > ('Python', '3.6.6'), > ('HDF5', '1.10.2'), > ] > > separate_build_dir = True > > configopts = "-DMPI_ENABLE=ON -DOPENMP_ENABLE=ON -DLINALG=OpenBLAS" > > sanity_check_paths = { > 'files': [], > 'dirs': [], > } > > sanity_check_commands = [] > > modextrapaths = {'PYTHONPATH': 'lib/python%(pyshortver)s/site-packages'} > > moduleclass = 'chem' > > Cheers, > > Loris > > -- > Dr. Loris Bennett (Mr.) > ZEDAT, Freie Universität Berlin Email loris.benn...@fu-berlin.de -- Dr. Loris Bennett (Mr.) ZEDAT, Freie Universität Berlin Email loris.benn...@fu-berlin.de
