Lori A. Burns
Lori A. Burns
currently atop #313 . diff of the new stuff: https://github.com/loriab/libint/compare/configconfig...loriab:libint:l2deps - [x] handle gmp/mpfr, boost, eigen, python deps - [x] fetchcontent-advocating ppl have convinced me that L2-only library options should...
currently atop #312 . diff of the new stuff: https://github.com/loriab/libint/compare/orderingsconfig...loriab:libint:configconfig - [x] remaining configure.ac options that feed config.h transferred to cmake, except for dependency options. largely tested to replicate libtool...
currently atop #309 . here's the diff of the new stuff: https://github.com/loriab/libint/compare/intconfig...loriab:libint:orderingsconfig - [x] handle the 3 orderings options with CMake and add history and upgrade helper entries - [x]...
~currently atop #299 . here's the diff of the new stuff: https://github.com/loriab/libint/compare/extras...loriab:libint:intconfig~ - [x] This PR * presents ints classes and deriv and AM options to user (CMakeLists.txt) * processes...
This is a squash of #233 (2022) based on #205 (2021) that includes #148 (2019) followed by rebase to master (2023). ~Ignore for a bit. It's passed some local sanity...
Just a PSA that pylibint isn't working nicely with python 3.12. I see it locally on Linux, and GHA hits it on Mac. There's some `setup.py test` complaints, but even...
Far from comprehensive, but catches a few Py3 problems I saw in trying to run Tutorial 3. Also specifies conda-forge `nodejs` package as a worthy way to get "npm", rather...
Hi, @bast, @robertodr asked me to collect some of my thoughts on renovated math detection, esp. in the light of new CMake features. So here's some ramblings, and I'll post...
I don't think the [autocmake OpenMP module](https://github.com/coderefinery/autocmake/blob/master/modules/omp.cmake) is playing nicely with modern [Kitware OpenMP module](https://github.com/Kitware/CMake/blob/master/Modules/FindOpenMP.cmake). In particular, when C/CXX/Fortran are active languages, if FindOpenMP finds flags & libs for C...
## Description This is a snapshot in which all n-body tests pass using QCManyBody locally. There's lots of code to be erased and reworked yet. And qcmb isn't installed in...