From 338d75ec3a7fdbdee6df125be5132c216f9762aa Mon Sep 17 00:00:00 2001
From: "Jonathan M. Waldrop" <relik107@gmail.com>
Date: Mon, 2 Dec 2024 14:14:52 -0600
Subject: [PATCH 1/2] add libint build to image

---
 nwx_build_environment/add_libint.dockerfile | 15 +++++++++++++++
 nwx_build_environment/buildenv.sh           |  2 +-
 2 files changed, 16 insertions(+), 1 deletion(-)
 create mode 100644 nwx_build_environment/add_libint.dockerfile

diff --git a/nwx_build_environment/add_libint.dockerfile b/nwx_build_environment/add_libint.dockerfile
new file mode 100644
index 0000000..f922123
--- /dev/null
+++ b/nwx_build_environment/add_libint.dockerfile
@@ -0,0 +1,15 @@
+FROM nwx_buildenv:latest
+
+ARG VERSION=2.9.0
+ARG COMPILER=gcc-11
+
+# Install libfort ##
+RUN cd /tmp \
+    && wget https://github.com/evaleev/libint/releases/download/v${LIBINT_VERSION}/libint-${LIBINT_VERSION}.tgz \
+    && tar -zxf libint-${LIBINT_VERSION}.tgz \
+    && cd libint-${LIBINT_VERSION} \
+    && cmake -Bbuild -H. -GNinja \
+    -DCMAKE_INSTALL_PREFIX=/nwx_dependencies/${COMPILER} \
+    -DCMAKE_TOOLCHAIN_FILE=/toolchains/${COMPILER}.cmake \
+    && cmake --build build --target install --parallel \
+    && rm -rf /tmp/libint-${LIBINT_VERSION}
diff --git a/nwx_build_environment/buildenv.sh b/nwx_build_environment/buildenv.sh
index 3c4d930..15cb791 100755
--- a/nwx_build_environment/buildenv.sh
+++ b/nwx_build_environment/buildenv.sh
@@ -1,7 +1,7 @@
 docker build -t nwx_buildenv -f nwx_buildenv.dockerfile .
 
 # Build dependencies with both GCC and Clang
-deps=("cereal" "gauxc" "libfort" "spdlog")
+deps=("cereal" "gauxc" "libfort" "spdlog" "libint")
 for dep in "${deps[@]}"
 do
     docker build -t nwx_buildenv -f add_${dep}.dockerfile --build-arg COMPILER=gcc-11 .

From 868e1bc801b09ea74a605a2af98716ab600e7375 Mon Sep 17 00:00:00 2001
From: "Jonathan M. Waldrop" <relik107@gmail.com>
Date: Mon, 2 Dec 2024 15:39:37 -0600
Subject: [PATCH 2/2] correct build procedure

---
 nwx_build_environment/add_libint.dockerfile   | 8 ++++----
 nwx_build_environment/nwx_buildenv.dockerfile | 2 +-
 2 files changed, 5 insertions(+), 5 deletions(-)

diff --git a/nwx_build_environment/add_libint.dockerfile b/nwx_build_environment/add_libint.dockerfile
index f922123..1555f1b 100644
--- a/nwx_build_environment/add_libint.dockerfile
+++ b/nwx_build_environment/add_libint.dockerfile
@@ -5,11 +5,11 @@ ARG COMPILER=gcc-11
 
 # Install libfort ##
 RUN cd /tmp \
-    && wget https://github.com/evaleev/libint/releases/download/v${LIBINT_VERSION}/libint-${LIBINT_VERSION}.tgz \
-    && tar -zxf libint-${LIBINT_VERSION}.tgz \
-    && cd libint-${LIBINT_VERSION} \
+    && wget https://github.com/evaleev/libint/releases/download/v${VERSION}/libint-${VERSION}.tgz \
+    && tar -zxf libint-${VERSION}.tgz \
+    && cd libint-${VERSION} \
     && cmake -Bbuild -H. -GNinja \
     -DCMAKE_INSTALL_PREFIX=/nwx_dependencies/${COMPILER} \
     -DCMAKE_TOOLCHAIN_FILE=/toolchains/${COMPILER}.cmake \
     && cmake --build build --target install --parallel \
-    && rm -rf /tmp/libint-${LIBINT_VERSION}
+    && rm -rf /tmp/libint-${VERSION}
diff --git a/nwx_build_environment/nwx_buildenv.dockerfile b/nwx_build_environment/nwx_buildenv.dockerfile
index db4880a..211e842 100644
--- a/nwx_build_environment/nwx_buildenv.dockerfile
+++ b/nwx_build_environment/nwx_buildenv.dockerfile
@@ -18,7 +18,7 @@ RUN apt-get update \
     libboost-all-dev \
     libopenblas-base libopenblas-dev \
     libscalapack-openmpi-dev \
-    # libint2-dev \
+    wget \
     libxml2-dev \
     libxslt-dev \
     nwchem \