Differences

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--- package:installation:macos_parmsfile [2024/01/13 11:41] – pbloechl
+++ package:installation:macos_parmsfile [2024/01/13 12:48] (current) – pbloechl
@@ Line 11: / Line 11: @@
 TPARALLEL="T"
 SPECIAL="none"
+COMPILER_SCALAR="gfortran "
+COMPILER_PARALLEL="${MPIDIR}/bin/mpifort "
 BLASDIR=""
 LAPACKDIR=""
-FFTDIR="/opt/homebrew/Cellar/fftw/3.3.10/"
+FFTDIR="/opt/homebrew/"
-#FFTDIR="/usr/local/lib/"
+#FFTDIR="/usr/local/"
 FFT_HEADER="${FFTDIR}/include/fftw3.f03"
-#FFT_HEADER="/usr/local/Cellar/fftw/3.3.10/include/fftw3.f03"
+#FFT_HEADER="/usr/local/include/fftw3.f03"
-MPIDIR="/opt/homebrew/Cellar/open-mpi/4.1.2/"
+MPIDIR="/opt/homebrew/"
-#MPIDIR="/usr/local/Cellar/open-mpi/4.1.2/"
+#MPIDIR="/usr/local/"
-MPI_HEADER="${MPIDIR}/include/mpif.h"
-COMPILER_SCALAR="gfortran "
-COMPILER_PARALLEL="${MPIDIR}/bin/mpifort "
 FCFLAGS_NONE="-c "
 FCFLAGS_OPT="-c -O3  -funroll-loops -fomit-frame-pointer -march=native -fexternal-blas "
@@ Line 33: / Line 33: @@
 FCFLAGS_DBG="-c -g -O3 -funroll-loops -fomit-frame-pointer -march=native -std=f2008 -pedantic -fbacktrace -fdump-core -fimplicit-none -fcheck=bounds,do,mem,pointer,recursion -ffpe-trap=invalid,zero,overflow -ffpe-summary=invalid,zero,overflow -fexternal-blas -Wall -Wextra -Wline-truncation  -Wuninitialized -Wno-maybe-uninitialized"
 LDFLAGS_SCALAR="-I${OBJDIR} -L${OBJDIR} -framework Accelerate "
 LDFLAGS_PARALLEL="-I${OBJDIR} -L${OBJDIR} -framework Accelerate "
@@ Line 46: / Line 47: @@
 </code>
-===== Homebrew =====
+==== Homebrew ====
+I use [[https://brew.sh|homebrew]]  to install Linux software in the MacOS environment. Homebrew installs the libraries in the directory ''/opt/homebrew''. Homebrew deposits the packages in the directory ''/opt/homebrew/Cellar/<packagename>/<versionnumber>''. In the parmfile for configure, these directories are **not** mentioned, because this would require up adjust the version number after each upgrade. Rather, one refers to the collection of symbolic links contained in ''/opt/homebrew/lib'', ''opt/hombrew/include'', ''/opt/homebrew/bin''
+Currently the cp-paw code uses the packages (Caution: there may a few others):
+  * fftw
+  * openmpi
+  * libxc
+The BLAS and LAPACK packages are included in the Accelerate framework of MacOS, which is selected with the compiler option ''-framework Accelerate''.
-I use homebrew to install Linux software in the MacOS environment. Homebrew installs the libraries in the directory ''/opt/homebrew''. The directory ''/opt/homebrew/Cellar/'' contains the actual installations of the packages ihn a subdirectory //packagename/versionnumber//. In the parmfile for configure, these directories are not mentioned, because this would require up adjust the version number after an upgrade. Rather one refers to the collection of symbolic links in ''/opt/homebrew/lib'', ''opt/hombrew/include'', ''/opt/homebrew/bin''
+The packages can be kept to the most recent version using the commands ''brew update'' and ''brew upgrade''.
-===== Compiler flags =====
+==== Compiler flags =====
-[[http://fortranwiki.org/fortran/show/Debugging+tools|Recommendations for compiler flags]]
+Recommendations for [[http://fortranwiki.org/fortran/show/Debugging+tools|compiler flags for debugging]]