diff --git a/cmake/CMakeLists.txt b/cmake/CMakeLists.txt index 7c2f643f2d..100fa7b9d3 100644 --- a/cmake/CMakeLists.txt +++ b/cmake/CMakeLists.txt @@ -432,12 +432,7 @@ if(PKG_MSCG OR PKG_ATC OR PKG_AWPMD OR PKG_ML-QUIP OR PKG_ML-POD OR PKG_LATTE OR set_target_properties(linalg PROPERTIES OUTPUT_NAME lammps_linalg${LAMMPS_MACHINE}) set(BLAS_LIBRARIES "$") set(LAPACK_LIBRARIES "$") - else() - #message(PKG_ML-POD) - #message(${BLAS_LIBRARIES}) - #message(${LAPACK_LIBRARIES}) - #set(lapackblas_libraries ${BLAS_LIBRARIES} ${LAPACK_LIBRARIES}) - #message(${lapackblas_libraries}) + else() list(APPEND LAPACK_LIBRARIES ${BLAS_LIBRARIES}) endif() endif() diff --git a/cmake/Modules/StyleHeaderUtils.cmake b/cmake/Modules/StyleHeaderUtils.cmake index adfe9ba65a..4c4da6aea7 100644 --- a/cmake/Modules/StyleHeaderUtils.cmake +++ b/cmake/Modules/StyleHeaderUtils.cmake @@ -168,7 +168,7 @@ function(DetectBuildSystemConflict lammps_src_dir) if(ARGC GREATER 1) list(REMOVE_AT ARGV 0) foreach(SRC_FILE ${ARGV}) - get_filename_component(FILENAME ${SRC_FILE} NAME) + get_filename_component(FILENAME ${SRC_FILE} NAME if(EXISTS ${lammps_src_dir}/${FILENAME}) message(FATAL_ERROR "\n########################################################################\n" "Found package(s) installed by the make-based build system\n" diff --git a/doc/src/Packages_details.rst b/doc/src/Packages_details.rst index 5cf4483714..8a4ad9122c 100644 --- a/doc/src/Packages_details.rst +++ b/doc/src/Packages_details.rst @@ -1791,7 +1791,9 @@ A pair style and compute for Proper Orthogonal Descriptors (POD). POD is a methodology for deriving descriptors based on the Karhuen-Loeve expansion. The ML-POD package provides an efficient implementation for running simulations with POD potentials, along with fitting the potentials -natively in LAMMPS. +natively in LAMMPS. If you want to use the fitting functionality in `compute_podfit`, +you must install the LAPACK library on your machine, which will be included in +your build via `CMakeLists.txt` **Authors:** diff --git a/doc/src/Packages_list.rst b/doc/src/Packages_list.rst index 605c00e1c6..439a066737 100644 --- a/doc/src/Packages_list.rst +++ b/doc/src/Packages_list.rst @@ -302,7 +302,7 @@ whether an extra library is needed to build and use the package: - Proper orthogonal decomposition potentials - :doc:`pair pod ` - pod - - no + - ext * - :ref:`ML-QUIP ` - QUIP/libatoms interface - :doc:`pair_style quip `