Eduard Valeyev

Results 70 comments of Eduard Valeyev

> > We could give user the option of building/running the compiler at configure time, but that seems fragile as well. > > That seems similar to things that I've...

> That should not be the case. As long as the appropriate CMake targets are made available, CMake would be able to compile the generated libint library before it is...

gentle bump @davidbeckingsale :)

@JonathonMisiewicz nice catch! I think default precision in Libint should be sufficient to get 14+ digits unless you are dealing with extreme exponents (or other params). Just double check your...

@JonathonMisiewicz if you could add a unit test to https://github.com/evaleev/libint/blob/master/tests/unit/test-1body.cc would be good ... just follow the patterns

for posterity: 1-body (point charge) integral formulas in [DOI 10.1039/b605188j](https://dx.doi.org/10.1039/b605188j) are obtained by substituting $\lim_{\eta \to \infty} \rho \equiv \lim_{\eta \to \infty} \frac{\zeta \eta}{\zeta + \eta} = \lim_{\eta \to \infty}...

@loriab bumping this to revisit in the light of planned use of `Libint2_CONFIG_COMPONENTS` (see https://github.com/evaleev/libint/pull/259/files#diff-4a7c86a49b4b056d4c5e5adf66bb420b3e9adc79862abebde6f6c4fe358ed9b0R52) - presumably `SONAME` will need to include library configuration ... `SONAME` does not seem to...

good starter-level explanation of `SONAME` and `SOVERSION`: https://crascit.com/wp-content/uploads/2019/09/Deep-CMake-For-Library-Authors-Craig-Scott-CppCon-2019.pdf

> * [x] [Here's a project](https://github.com/LecrisUT/CMakeExtraUtils/issues/14) that connects git and CMake (w/o the extra python dep that psi4's equivalent requires). It would require CMake 3.19 (generator/compiler only _not_ library). That...

one more piece of context: for assembling large projects with dependency graphs of 20+ subprojects (e.g. https://github.com/ValeevGroup/mpqc4/issues/426 ) would be convenient to use `DynamicProject()`-like functionality from main project to harvest...