Release/1.3.1

[foxtran]

Description

This PR updates release/1.3 branch for passing compilation with novel glibc. I have updated old Catch v1.11.0 to v2.13.10, then fixed the compilation of one of the tests.

Motivation and Context

Fixes #197

How Has This Been Tested?

cmake -H. -Bbuild -DCMAKE_BUILD_TYPE=Debug
cd build
make -j $(nproc)
ctest . --parallel $(nproc)

with gcc version 11.3.1 20220421 (Red Hat 11.3.1-2) (GCC) on Fedora Linux 35.

Unfortunately, I got the error described in #159.

Types of changes

• Bug fix (non-breaking change which fixes an issue)
• New feature (non-breaking change which adds functionality)
• Breaking change (fix or feature that would cause existing functionality to change)

Status

• Ready to go
• Cherry-pick to latest release branch

[robertodr]

Thanks for this PR! I cherry-picked #196 into it so it ends up in the release. I ended up having to deactivate the infamous green_spherical_diffuse test. With the same exact environment as in CI, I cannot reproduce the failure locally. I note that it fails only for the logarithmic dielectric profile. I want to figure out how to fix #198 as well and then cut the release.

[foxtran]

@robertodr, thanks!

Let me test this release before its official release. I got some configuration errors with the Intel compiler's specific builds.

[robertodr]

I haven't had access/used Intel compilers in a while, so I'd appreciate if you could double-check. I think the oneAPI series of compilers will work without problems though.

[loriab]

Please include #203 infrastucture changes in v1.3.1 .

If you want to test Intel compilers in CI, can get the icpx ones via https://github.com/evaleev/libint/blob/0eca57e412cd93c72c01fa0173698f9a082b475b/.github/workflows/cmake.yml#L290-L313 . I guess still use gnu for fortran?

[foxtran]

@robertodr, there is some issues with novel, LLVM-based Intel compiler. Fortunately, they did not come from this PR.

[foxtran]

@robertodr, is this library alive?

[loriab]

Hi @foxtran, I've talked with Roberto recently, and my impression is that the library is not dead, but he's unlikely to have much time for maintenance. See also #206 (comment) . If it's any help, here are some patches that get the 1.2 series working on windows, recent compilers, etc. I haven't tried the Intel LLVM, though.