Christoph Junghans
Christoph Junghans
I was playing around with the `custom.py` backend to support [LAMMPS](https://github.com/lammps/lammps)' versioning scheme, which is `%e%b%y`, e.g. `patch_11Aug2017` or `patch_4May2017` (without leading `0`). Any advice? Ref: lammps/lammps#617
Ubuntu has libexodusii-dev and libtrilinos-zoltan2-dev, so let's use it.
Make a Spack package for quinoa. Dependencies Spack has - sci-libs/trilinos - charm+mpi - boost - hypre+mpi - random123 - netlib-lapack+lapacke Missing - mad-numdiff (LLNL/spack#3811) - h5part (LLNL/spack#3821) - boost-mpl-cartesian_product...
It is in multiverse: http://packages.ubuntu.com/yakkety/libtestu01-0-dev
To reproduce: ``` cd cereal cmake . make ctest ``` fails with: ``` 38: Test command: /usr/bin/cmake "-P" "/tmp/cereal-1.3.2/unittests/cmake-config-module.cmake" 38: Test timeout computed to be: 10000000 38: -- Configuring done...
Upstream issue: https://gitlab.kitware.com/cmake/cmake/-/issues/25419 Upsteam draft PR: https://gitlab.kitware.com/cmake/cmake/-/merge_requests/9188 Related: - #292 - #2994 - #3202 - #2492 - #3226 - #3217 - #3228 - #3236 - #3272 - #3336 - #3311...
Related to #3208 Consider two files: ``` module first interface inner end interface inner end module first module second REAL :: C = 1 end module second ``` and ```...
If we ever switch to cmake-3.22+, we should use CMAKE_REQUIRE_FIND_PACKAGE_ https://cmake.org/cmake/help/latest/variable/CMAKE_REQUIRE_FIND_PACKAGE_PackageName.html#variable:CMAKE_REQUIRE_FIND_PACKAGE_%3CPackageName%3E replacing our own `Cabana_REQUIRE_`.
Something is still wrong with `ifort` and I am a bit unhappy with the runtime.
csg_stat has problem with duplicated interaction names, we should warn the user. See https://groups.google.com/g/votca/c/3COXSvCXwjY