comp-chem/cp2k
1
0
Fork 0
mirror of https://github.com/cp2k/cp2k.git synced 2026-07-28 06:05:29 -04:00
Code Issues Projects Releases Packages Wiki Activity Actions

Add CMake support for libsmeagol

Browse source
This commit is contained in:
Rocco Meli 2025-01-29 17:56:23 +01:00 • committed by GitHub
parent 4c325a8b0d
commit 4e1a1e240b
No known key found for this signature in database
GPG key ID: B5690EEEBB952194
9 changed files with 76 additions and 5 deletions
Download patch file Download diff file Expand all files Collapse all files

2
tools/docker/scripts/build_cp2k_cmake.sh
View file

@ -85,6 +85,7 @@ if [[ "${PROFILE}" == "spack" ]] && [[ "${VERSION}" == "psmp" ]]; then
-DCP2K_USE_LIBTORCH=OFF \
-DCP2K_USE_DLAF=ON \
-DCP2K_USE_DFTD4=ON \
-DCP2K_USE_LIBSMEAGOL=OFF \
.. |& tee ./cmake.log
CMAKE_EXIT_CODE=$?
@ -144,6 +145,7 @@ elif [[ "${PROFILE}" == "toolchain" ]] && [[ "${VERSION}" == "psmp" ]]; then
-DCP2K_USE_ELPA=ON \
-DCP2K_USE_FFTW3=ON \
-DCP2K_USE_LIBINT2=ON \
-DCP2K_USE_LIBSMEAGOL=ON \
-DCP2K_USE_LIBTORCH=ON \
-DCP2K_USE_LIBXC=ON \
-DCP2K_USE_LIBXSMM=ON \