summaryrefslogtreecommitdiff
path: root/README.md
diff options
context:
space:
mode:
authorJeff Hammond <jeff.science@gmail.com>2024-05-03 21:13:54 +0300
committerGitHub <noreply@github.com>2024-05-03 11:13:54 -0700
commit23f16041cdff676166e3820ab84a9af1bd4912ef (patch)
treeb4b2870200c844507b322950e941c7f7a6a726e1 /README.md
parente2329adac04e5ae6a9e51adfcee201bf65a46477 (diff)
downloadspack-23f16041cdff676166e3820ab84a9af1bd4912ef.tar.gz
spack-23f16041cdff676166e3820ab84a9af1bd4912ef.tar.bz2
spack-23f16041cdff676166e3820ab84a9af1bd4912ef.tar.xz
spack-23f16041cdff676166e3820ab84a9af1bd4912ef.zip
NWChem ARMCI-MPI variant and optional TCE builds (#43883)
* WIP NWChem with ARMCI-MPI and TCE optional * rename armci-mpi to armcimpi * add version for git * add ARMCI-MPI support to NWChem package EXTERNAL_ARMCI_PATH needs to be set to the ARMCI-MPI package install prefix. I could not get it from spec["armcimpi"] but it worked to use the dependent build environment method to export a generic environmental variable to use instead. * i suppose i can maintain NWChem as well * check rejects option that dozens of packages use i do not have time to fight with this nonsense Run . share/spack/setup-env.sh ==> Error: armcimpi version 'master' has extra arguments: 'branch' Valid arguments for a url fetcher are: 'url', 'sha256', 'md5', 'sha1', 'sha224', 'sha384', 'sha512', and 'checksum' Error: Process completed with exit code 1. * style * ARMCI-MPI needs depends_on; the rest seems fixed * fix ARMCI selection per review feedback from @zzzoom https://github.com/spack/spack/pull/43883#discussion_r1585014147 * address reviewer feedback from @yizeyi18 https://github.com/spack/spack/pull/43883#discussion_r1587228084 elaborate on what +extratce does, in terms of the NWChem build environment variables, some of which are documented on https://nwchemgit.github.io/TCE.html. * style * Update var/spack/repos/builtin/packages/nwchem/package.py --------- Signed-off-by: Jeff Hammond <jeff.science@gmail.com> Co-authored-by: Carlos Bederián <4043375+zzzoom@users.noreply.github.com>
Diffstat (limited to 'README.md')
0 files changed, 0 insertions, 0 deletions