Merge pull request #46 from zerothi/main-gcc10

added gcc10 support

.ci_support/linux_64_mpimpich.yaml

@@ -35,5 +35,3 @@ target_platform:
 zip_keys:
 - - c_compiler_version
   - fortran_compiler_version
-zlib:
-- '1.2'

.ci_support/linux_64_mpinompi.yaml

@@ -35,5 +35,3 @@ target_platform:
 zip_keys:
 - - c_compiler_version
   - fortran_compiler_version
-zlib:
-- '1.2'

.ci_support/linux_64_mpiopenmpi.yaml

@@ -35,5 +35,3 @@ target_platform:
 zip_keys:
 - - c_compiler_version
   - fortran_compiler_version
-zlib:
-- '1.2'

.ci_support/osx_64_mpimpich.yaml

@@ -3,7 +3,7 @@ MACOSX_DEPLOYMENT_TARGET:
 c_compiler:
 - clang
 c_compiler_version:
-- '15'
+- '16'
 channel_sources:
 - conda-forge
 channel_targets:
@@ -35,5 +35,3 @@ target_platform:
 zip_keys:
 - - c_compiler_version
   - fortran_compiler_version
-zlib:
-- '1.2'

.ci_support/osx_64_mpinompi.yaml

@@ -3,7 +3,7 @@ MACOSX_DEPLOYMENT_TARGET:
 c_compiler:
 - clang
 c_compiler_version:
-- '15'
+- '16'
 channel_sources:
 - conda-forge
 channel_targets:
@@ -35,5 +35,3 @@ target_platform:
 zip_keys:
 - - c_compiler_version
   - fortran_compiler_version
-zlib:
-- '1.2'

.ci_support/osx_64_mpiopenmpi.yaml

@@ -3,7 +3,7 @@ MACOSX_DEPLOYMENT_TARGET:
 c_compiler:
 - clang
 c_compiler_version:
-- '15'
+- '16'
 channel_sources:
 - conda-forge
 channel_targets:
@@ -35,5 +35,3 @@ target_platform:
 zip_keys:
 - - c_compiler_version
   - fortran_compiler_version
-zlib:
-- '1.2'

conda-forge.yml

@@ -1,4 +1,8 @@
 conda_forge_output_validation: true
+#build_platform:
+#  osx_arm64: osx_64
+test: native_and_emulated
+test_on_native_only: true
 github:
   branch_name: main
   tooling_branch_name: main

recipe/build.sh

@@ -1,21 +1,56 @@
 #!/bin/bash
 
+# error on faulty execution
+set -ex
+
 # Remove __FILE__ lines in utils file.
 sed -i -e "s:__FILE__:'fdf/utils.F90':g" Src/fdf/utils.F90
 
 echo "Runing with mpi=$mpi and blas=$blas_impl"
+echo "Build on target_platform=$target_platform"
+echo "Build on uname=$(uname)"
 
 # Use the default utilities, for now.
 cd Obj
 ../Src/obj_setup.sh
 
-# In 4.0 we do not use OpenMP!
-if [[ -n "$GCC" ]]; then
-    repl="s:%CC%:$GCC:g"
+#if [[ "$target_platform" == linux-* || "$target_platform" == "osx-arm64"  ]]; then
+  # Workaround for https://github.com/conda-forge/scalapack-feedstock/pull/30#issuecomment-1061196317
+  export FFLAGS="$FFLAGS -fallow-argument-mismatch"
+  export DEBUG_FFLAGS="$DEBUG_FFLAGS -fallow-argument-mismatch"
+  export OMPI_FCFLAGS="$FFLAGS"
+#fi
+
+if [[ "$CONDA_BUILD_CROSS_COMPILATION" == "1" ]]; then
+  # This is only used by open-mpi's mpicc
+  # ignored in other cases
+  export OMPI_CC=$CC
+  export OMPI_CXX=$CXX
+  export OMPI_FC=$FC
+  export OPAL_PREFIX=$PREFIX
+fi
+
+if [[ "$(uname)" == "Darwin" ]]; then
+  # Fix headerpad-max-install-error
+  # install_name_tool: changing install names or rpaths can't be redone for
+  #  (for architecture x86_64) because larger updated load commands do not fit (the program must be relinked, and you may need to use -headerpad or -headerpad_max_install_names)
+  export SONAME="-Wl,-install_name,@rpath/"
+  export LDFLAGS="${LDFLAGS} -headerpad_max_install_names"
 else
-    repl="s:%CC%:$CC:g"
+  export SONAME="-Wl,-soname,"
 fi
-repl="$repl;s:%CFLAGS%:${CFLAGS//-fopenmp/}:g"
+
+if [[ "$mpi" != "nompi" ]]; then
+  # This is not necessary as the arch.make files
+  # handles this correctly
+  echo "passing on setting CC and FC for non-mpi"
+  #export CC=mpicc
+  #export FC=mpifort
+fi
+
+# Get the version
+echo "CC version string: $($CC --version | head -1)"
+
 if [[ -n "$GCC_AR" ]]; then
     repl="$repl;s:%AR%:$GCC_AR:g"
 else
@@ -26,16 +61,19 @@ if [[ -n "$GCC_RANLIB" ]]; then
 else
     repl="$repl;s:%RANLIB%:$RANLIB:g"
 fi
+repl="$repl;s:%CC%:$CC:g"
 repl="$repl;s:%FC%:$FC:g"
+# No OpenMP!
+repl="$repl;s:%CFLAGS%:${CFLAGS//-fopenmp/}:g"
 repl="$repl;s:%FFLAGS%:${FFLAGS//-fopenmp/}:g"
 repl="$repl;s:%FFLAGS_DEBUG%:${DEBUG_FFLAGS//-fopenmp/}:g"
 repl="$repl;s:%INCFLAGS%:-I$PREFIX/include:g"
-repl="$repl;s:%LDFLAGS%:-L$PREFIX/lib:g"
+repl="$repl;s:%LDFLAGS%:-L$PREFIX/lib $LDFLAGS:g"
 
 if [[ "$mpi" == "nompi" ]]; then
-    sed -e "$repl" $RECIPE_DIR/arch.make.SEQ > arch.make
+  sed -e "$repl" $RECIPE_DIR/arch.make.SEQ > arch.make
 else
-    sed -e "$repl" $RECIPE_DIR/arch.make.MPI > arch.make
+  sed -e "$repl" $RECIPE_DIR/arch.make.MPI > arch.make
 fi
 echo "<<< arch.make >>>"
 cat arch.make
@@ -46,13 +84,12 @@ function mkcp {
     shift
     local exe=$target
     if [ $# -ge 1 ]; then
-	exe=$1
-	shift
+	    exe=$1
+	    shift
     fi
     echo "RUNNING: make $target"
     make $target
-    [ -e compinfo.F90 ] && cat compinfo.F90
-    cp $target $PREFIX/bin/$exe
+    cp -av $target $PREFIX/bin/$exe
     make clean
 }
 
@@ -61,7 +98,6 @@ make libxmlparser.a
 # Try and build FoX to catch any debugs
 # make FoX/.config || cat FoX/config.log
 
-set -x
 ls -l
 make version
 cat compinfo.F90
@@ -96,6 +132,10 @@ mkcp grid2cube
 mkcp grid_rotate
 mkcp grid_supercell
 
+cd ../Optical
+mkcp optical
+mkcp optical_input
+
 cd ../TBTrans
 mkcp tbtrans tbtrans_old
 cd ../TBTrans_rep

recipe/meta.yaml

@@ -16,7 +16,7 @@ source:
     - patches/makefile_conda-clean.patch
 
 # Default build version to be stepped with every new build!
-{% set build = 12 %}
+{% set build = 13 %}
 
 # Define build matrix for MPI vs. non-mpi
 ## ensure mpi is defined (needed for conda-smithy recipe-lint)
@@ -38,20 +38,16 @@ build:
 
   string: "{{ mpi_prefix }}_h{{ PKG_HASH }}_{{ build }}"
 
-  run_exports:
-    - {{ name }}
-
 requirements:
   build:
     - {{ compiler('fortran') }}
     - {{ compiler('c') }}
+    - openmpi-mpifort  # [mpi == 'openmpi']
     - make  # [not win]
   host:
     - libblas
     - liblapack
     - {{ mpi }}  # [mpi != 'nompi']
-    - zlib
-    - fox
     - scalapack  # [mpi != 'nompi']
     # need to list hdf5, libnetcdf and netcdf-fortran twice to get version
     # pinning from conda_build_config and build pinning from {{ mpi_prefix }}
@@ -63,8 +59,6 @@ requirements:
     - netcdf-fortran * {{ mpi_prefix }}_*
   run:
     - {{ mpi }}  # [mpi != 'nompi']
-    - zlib
-    - fox
     - scalapack  # [mpi != 'nompi']
     - hdf5 * {{ mpi_prefix }}_*
     - libnetcdf * {{ mpi_prefix }}_*