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Description
closes #3016 (supersedes)
closes #3084
User API & Changelog headlines
psi4-dev
conda package that brought psi4 build dependencies and a "psi4-path-adivsor.pyscript that produced cmake configure lines. Now, that script is in-repo at
conda/psi4-path-advisor.py` and running the help menu provides the following. This should be more configurable for folks who like to choose all conda or byo.Dev notes & details
codedeps.yaml
file that makes dependency and ecosystem information programmatically accessible. Presently useful for (1) people and (2) the in-repo psi4-path-advisor.py script, but more uses can follow.conda/psi4-path-advisor.py
script to serve as build helper. this is the main point of the PR. will elaborate more in future.CMAKE_<LANG>_COMPILER
instead of cluttering up the user choice varCMAKE_<LANG>_FLAGS
. This is especially relevant for intel compilers that need gcc passed. There's something that's not set up right yet for Intel Clang. Thus, we need to passCMAKE_<LANG>_COMPILER_ARG1
through to psi4 subproject and all other externals.ADDED 12 Nov
sed
ing the envs.psi4 --version
tripped the problem, hence thesed
.psi4 --psiapi
variation onpsi4 --psiapi-path
that can be used ineval $(psi4 --psiapi)
Checklist
Status