easybuild-easyblocks

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add easyblock for RAxML

5

This easyblock automatically builds those binaries of RAxML that 1. use optimizations available in the CPU micro-architecture of the host system (respects `optarch` settings) 2. have features compatible with the...

lexming

Add Java wrapper support to OpenMPI

4

Java wrapper support is currently experimental in OpenMPI. I've added support for the wrappers to the EasyBlock, but I don't intend to upload an easyconfig that uses them since choosing...

ocaisa

Additional options required for Clang and GPU offloading

2

I just noticied that the JSC easyconfigs set a number of additional options for Clang 9.0.0: ``` configopts = '-DCLANG_OPENMP_NVPTX_DEFAULT_ARCH=sm_37' configopts += ' -DLIBOMPTARGET_NVPTX_COMPUTE_CAPABILITIES=35,37' configopts += ' -DCLANG_DEFAULT_STD_CXX=cxx14' stage3_configopts =...

ocaisa

add easyblock for RELION

5

Depends on ~~#2280~~ and ~~#2302~~ Easyconfig in https://github.com/easybuilders/easybuild-easyconfigs/pull/10965

lexming

GCC not built with PIC - static linking fails

2

Today one of our developers wanted/needed to statically link to libgfortran. Though that fails. Reason is that GCC is not configured with --with-pic. I can of course add "configopts =...

DirkdeDraak

GROMACS: Get libraries used by a dependency in easyblock

2

I am attempting to configure the easyblock for gromacs (https://github.com/easybuilders/easybuild-easyblocks/blob/11870c2e93df143587b842cb93524f848418086c/easybuild/easyblocks/g/gromacs.py) with support for the QM/MM integration that is currently in the works on this branch: https://gitlab.com/gromacs/gromacs/-/tree/2021.2-qmmm The installation instructions mention...

jmbuhr

I.e. in the code section: ``` def configure_step(self, srcdir=None, builddir=None): """Configure build using cmake""" setup_cmake_env(self.toolchain) if builddir is None and self.cfg.get('separate_build_dir', True): builddir = create_unused_dir(self.builddir, 'easybuild_obj') if builddir: mkdir(builddir, parents=True)...

akesandgren

TensorFlow installation contains resolved paths in setuptools.pth

1

After installation of TensorFlow 1.13.1 with `fosscuda/2018a` and `fosscuda/2019a`, the paths recorded in `lib/python-3.*/site-packages/setuptools.pth` seem to contain resolved symlink paths. The user-facing part of our installation is in `/hpc2n/eb`, which...

zao

new easyblock for darshan

3

(created using `eb --new-pr`)

satishskamath

MakeCP easyblock will fail with `files_to_copy` and `multi_deps`

2

MakeCP is copying files in the install step. https://github.com/easybuilders/easybuild-easyblocks/blob/develop/easybuild/easyblocks/generic/makecp.py#L71 When there are multi_deps specified, the install step is run twice (or generally multiple times), which will result in Error ("folder...

Darkless012