Suppress the negative issue check (#7)

pspgen · May 10, 2024 · c2e79cb · c2e79cb
1 parent 7a5b70a
commit c2e79cb
Showing 1 changed file with 6 additions and 0 deletions.
diff --git a/Dockerfile b/Dockerfile
@@ -9,6 +9,12 @@ RUN wget -c -O atompaw.tar.gz http://users.wfu.edu/natalie/papers/pwpaw/atompaw-
     mkdir -p atompaw && \
     tar xf atompaw.tar.gz -C atompaw --strip-components=1 && \
     cd atompaw && \
+    # Comment out line 4006 of pseudo.F90 and line 79, 80 of pwscfinterface.F90
+    # to still output pseudo if the negative charge issue appears in generation
+    sed -i '4006s/^/!/' src/pseudo.F90 && \
+    sed -i '79s/^/!/' src/pwscfinterface.F90 && \
+    sed -i '80s/^/!/' src/pwscfinterface.F90 && \
+    # Compile
     mkdir build && \
     cd build && \
     ../configure FC=/usr/bin/gfortran \