compas / grasp

General Relativistic Atomic Structure Package
https://compas.github.io/grasp/
MIT License
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Adapted the Coupling code into the GRASP build structure #90

Closed jongrumer closed 1 year ago

jongrumer commented 1 year ago

Added Coupling (Gaigalas, CPC) into the GRASP code.

The primary issue that remains unsolved is the f77 code /src/appl/coupling/sqlsf.f which for seamless integration in GRASP must be translated to f90.

The "hacked" procedure now was:

Do not run genbuild(all) if not needed for a while since that will ruin the coupling makefile and CMakeLists.txt - maybe @mortenpi could help me look into this at some point ;)

jongrumer commented 1 year ago

Let's wait with this one.

mortenpi commented 1 year ago

Just need to loosen the file name regex slightly to make the Makefile/CMake generation work:

diff --git a/contrib/genbuild.sh b/contrib/genbuild.sh
index 5eeb89dc..52fb9ef9 100755
--- a/contrib/genbuild.sh
+++ b/contrib/genbuild.sh
@@ -54,7 +54,7 @@ function _generate-makefile-binary {
        echo
        echo -n "OBJS="
        for file in $(echo "$FILES" | sed 's/#.*$//'); do
-               if [[ "$file" =~ ^(.+)\.f90$ ]]; then
+               if [[ "$file" =~ ^(.+)\.f(90)?$ ]]; then
                        echo " \\"
                        echo -n "       ${BASH_REMATCH[1]}.o"
                else
@@ -100,7 +100,7 @@ function _generate-makefile-library {
        echo
        echo -n "OBJS="
        for file in $(echo "$FILES" | sed 's/#.*$//'); do
-               if [[ "$file" =~ ^(.+)\.f90$ ]]; then
+               if [[ "$file" =~ ^(.+)\.f(90)?$ ]]; then
                        echo " \\"
                        echo -n "       ${BASH_REMATCH[1]}.o"
                else
jongrumer commented 1 year ago

Ok cool! Thanks @mortenpi, I'll try it out!