Add HAVE_VASP to Makefile*inc, and copy md and vasp_driver in config.…

…sh, where it matters
libAtoms · Nov 18, 2021 · 74fdee3 · 74fdee3
1 parent 0f0b674
commit 74fdee3
Show file tree

Hide file tree

Showing 4 changed files with 5 additions and 3 deletions.
diff --git a/Makefile.darwin_arm64_gfortran_openmp.inc b/Makefile.darwin_arm64_gfortran_openmp.inc
@@ -20,7 +20,7 @@ F95FLAGS += -arch arm64
 MATH_LINKOPTS=-L/opt/arm64-builds/lib/ -lopenblas
 EXTRA_LINKOPTS=
 HAVE_CP2K=0
-HAVE_VASP=0
+HAVE_VASP=1
 HAVE_TB=1
 HAVE_PRECON=0
 HAVE_LOTF=0

diff --git a/Makefile.darwin_x86_64_gfortran_openmp.inc b/Makefile.darwin_x86_64_gfortran_openmp.inc
@@ -18,7 +18,7 @@ CFLAGS += -Wno-return-type -Wno-implicit-int
 MATH_LINKOPTS=-L/usr/local/opt/openblas/lib -lopenblas
 EXTRA_LINKOPTS=
 HAVE_CP2K=0
-HAVE_VASP=0
+HAVE_VASP=1
 HAVE_TB=1
 HAVE_PRECON=0
 HAVE_LOTF=0

diff --git a/Makefile.linux_x86_64_gfortran_openmp.inc b/Makefile.linux_x86_64_gfortran_openmp.inc
@@ -17,7 +17,7 @@
 MATH_LINKOPTS=-L/usr/local/lib -lopenblas
 EXTRA_LINKOPTS=
 HAVE_CP2K=0
-HAVE_VASP=0
+HAVE_VASP=1
 HAVE_TB=1
 HAVE_PRECON=0
 HAVE_LOTF=0

diff --git a/config.sh b/config.sh
@@ -102,6 +102,8 @@ function pre_build {
     # include `quip` and `gap_fit` command line tools and `libquip.a` library
     cp ${REPO_DIR}/quip ${REPO_DIR}/quippy
     cp ${REPO_DIR}/gap_fit ${REPO_DIR}/quippy/
+    cp ${REPO_DIR}/md ${REPO_DIR}/quippy/
+    cp ${REPO_DIR}/vasp_driver ${REPO_DIR}/quippy/
     cp ${REPO_DIR}/libquip.a ${REPO_DIR}/quippy/
 }