Update modules.

Author: Guangzhen-Jin

modulefiles/anvil/cpu/gcc/14.2.0/openblas/0.3.27.lua

@@ -0,0 +1,29 @@
+-- -*- lua -*-
+-- Module file created by spack (https://github.com/spack/spack) on 2026-06-16 13:23:18.804092
+--
+-- openblas@0.3.27%gcc@14.2.0~bignuma~consistent_fpcsr+dynamic_dispatch+fortran~ilp64+locking+pic+shared build_system=makefile symbol_suffix=none threads=openmp arch=linux-rocky8-zen3/kqza34s
+--
+
+whatis([[Name : openblas]])
+whatis([[Version : 0.3.27]])
+whatis([[Target : zen3]])
+whatis([[Short description : OpenBLAS: An optimized BLAS library]])
+
+help([[Name   : openblas]])
+help([[Version: 0.3.27]])
+help([[Target : zen3]])
+help()
+help([[OpenBLAS: An optimized BLAS library]])
+
+
+
+prepend_path("PATH", "/apps/spack/anvil-cpu-2025/apps/openblas/0.3.27-gcc-14.2.0-kqza34s/bin", ":")
+prepend_path("LIBRARY_PATH", "/apps/spack/anvil-cpu-2025/apps/openblas/0.3.27-gcc-14.2.0-kqza34s/lib", ":")
+prepend_path("LD_LIBRARY_PATH", "/apps/spack/anvil-cpu-2025/apps/openblas/0.3.27-gcc-14.2.0-kqza34s/lib", ":")
+prepend_path("CPATH", "/apps/spack/anvil-cpu-2025/apps/openblas/0.3.27-gcc-14.2.0-kqza34s/include", ":")
+prepend_path("PKG_CONFIG_PATH", "/apps/spack/anvil-cpu-2025/apps/openblas/0.3.27-gcc-14.2.0-kqza34s/lib/pkgconfig", ":")
+prepend_path("CMAKE_PREFIX_PATH", "/apps/spack/anvil-cpu-2025/apps/openblas/0.3.27-gcc-14.2.0-kqza34s/.", ":")
+setenv("OPENBLAS_HOME", "/apps/spack/anvil-cpu-2025/apps/openblas/0.3.27-gcc-14.2.0-kqza34s")
+setenv("RCAC_OPENBLAS_ROOT", "/apps/spack/anvil-cpu-2025/apps/openblas/0.3.27-gcc-14.2.0-kqza34s")
+setenv("RCAC_OPENBLAS_VERSION", "/apps/spack/anvil-cpu-2025/apps/openblas/0.3.27-gcc-14.2.0-kqza34s")
+

modulefiles/anvil/cpu/openmpi/4.1.6-kh4i5vu/gcc/14.2.0/cp2k/2025.2.lua

@@ -0,0 +1,34 @@
+-- -*- lua -*-
+-- Module file created by spack (https://github.com/spack/spack) on 2026-06-16 13:07:22.461709
+--
+-- cp2k@2025.2%gcc@14.2.0~cosma~cuda+dlaf+elpa~enable_regtests~ipo+libint~libvori~libxc+mpi~mpi_f08+openmp~pexsi+plumed~pytorch~quip~rocm~sirius~spglib~spla build_system=cmake build_type=Release generator=make lmax=5 smm=blas arch=linux-rocky8-zen3/azh3ulj
+--
+
+whatis([[Name : cp2k]])
+whatis([[Version : 2025.2]])
+whatis([[Target : zen3]])
+whatis([[Short description : CP2K is a quantum chemistry and solid state physics software package that can perform atomistic simulations of solid state, liquid, molecular, periodic, material, crystal, and biological systems ]])
+
+help([[Name   : cp2k]])
+help([[Version: 2025.2]])
+help([[Target : zen3]])
+help()
+help([[CP2K is a quantum chemistry and solid state physics software package
+that can perform atomistic simulations of solid state, liquid,
+molecular, periodic, material, crystal, and biological systems]])
+
+
+depends_on("fftw/3.3.10")
+depends_on("openblas/0.3.27")
+depends_on("openmpi/4.1.6")
+
+prepend_path("PATH", "/apps/spack/anvil-cpu-2025/apps/cp2k/2025.2-gcc-14.2.0-azh3ulj/bin", ":")
+prepend_path("LIBRARY_PATH", "/apps/spack/anvil-cpu-2025/apps/cp2k/2025.2-gcc-14.2.0-azh3ulj/lib", ":")
+prepend_path("LD_LIBRARY_PATH", "/apps/spack/anvil-cpu-2025/apps/cp2k/2025.2-gcc-14.2.0-azh3ulj/lib", ":")
+prepend_path("CPATH", "/apps/spack/anvil-cpu-2025/apps/cp2k/2025.2-gcc-14.2.0-azh3ulj/include", ":")
+prepend_path("PKG_CONFIG_PATH", "/apps/spack/anvil-cpu-2025/apps/cp2k/2025.2-gcc-14.2.0-azh3ulj/lib/pkgconfig", ":")
+prepend_path("CMAKE_PREFIX_PATH", "/apps/spack/anvil-cpu-2025/apps/cp2k/2025.2-gcc-14.2.0-azh3ulj/.", ":")
+setenv("CP2K_HOME", "/apps/spack/anvil-cpu-2025/apps/cp2k/2025.2-gcc-14.2.0-azh3ulj")
+setenv("RCAC_CP2K_ROOT", "/apps/spack/anvil-cpu-2025/apps/cp2k/2025.2-gcc-14.2.0-azh3ulj")
+setenv("RCAC_CP2K_VERSION", "/apps/spack/anvil-cpu-2025/apps/cp2k/2025.2-gcc-14.2.0-azh3ulj")
+