fix installopts before installing the extension in GROMACS easyblock#2391
Conversation
|
The installopts was not correctly reset before doing the extension. |
|
Test report by @akesandgren Overview of tested easyconfigs (in order)
Build succeeded for 1 out of 1 (1 easyconfigs in total) |
| # Reset installopts etc for the benefit of the gmxapi extension | ||
| self.cfg['install_cmd'] = self.orig_install_cmd | ||
| self.cfg['build_cmd'] = self.orig_build_cmd | ||
| self.cfg['installopts'] = self.orig_installopts |
There was a problem hiding this comment.
Hmm, this makes me a bit nervous... Why (only) these easyconfig parameters?
Isn't this a sign of a bigger issue (not specific to GROMACS) that should be fixed in framework?
There was a problem hiding this comment.
Actually I only need to reset installopts, but since I had saved the others too I reset them.
And the reason for saving them is that I change them from their defaults.
The problem with installopts was that it gets set to "install" causing the subsequent extension pip command to come out as:
INFO cmd "export GMXTOOLCHAINDIR=/home/a/ake/Public/easybuild/software/GROMACS/2021-fosscuda-2020b/share/cmake/gromacs_mpi &&
pip install --prefix=/home/a/ake/Public/easybuild/software/GROMACS/2021-fosscuda-2020b install --verbose --no-deps --ignore-installed --no-build-isolation ."
Note the double "install", i.e. it tried to install the "install" pkg from pypi... causing the sanity to barf...
So, most easyblocks don't internally change any of these... thus no problem. But installopts could potentially be worth keeping an eye on before going into pythonpackage extension installation.
|
I thought I'd better confirm that this easyblock fixed the sanity check issue I was observing with CentOS 7.9. Not had a chance yet to check with CentOS 8.3 but I suspect it will fix it there too! |
|
Test report by @smoors Overview of tested easyconfigs (in order)
Build succeeded for 2 out of 2 (1 easyconfigs in total) |
|
Going in, thanks @akesandgren! |
(created using
eb --new-pr)