From e12acdff0ddb9e343af0167abd779973e9e07b21 Mon Sep 17 00:00:00 2001
From: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
Date: Sat, 8 May 2021 03:06:29 -0400
Subject: [PATCH 1/2] test lammps builds

---
 .github/workflows/build_cc.yml |  5 ++++
 source/install/build_lammps.sh | 48 ++++++++++++++++++++++++++++++++++
 2 files changed, 53 insertions(+)
 create mode 100755 source/install/build_lammps.sh

diff --git a/.github/workflows/build_cc.yml b/.github/workflows/build_cc.yml
index 1a2b14b38d..8029263061 100644
--- a/.github/workflows/build_cc.yml
+++ b/.github/workflows/build_cc.yml
@@ -29,3 +29,8 @@ jobs:
         FLOAT_PREC: ${{ matrix.float_prec }}
         CC: gcc-7
         CXX: g++-7
+    - run: source/install/build_lammps.sh
+      env:
+        FLOAT_PREC: ${{ matrix.float_prec }}
+        CC: gcc-7
+        CXX: g++-7
diff --git a/source/install/build_lammps.sh b/source/install/build_lammps.sh
new file mode 100755
index 0000000000..0cfd77cddf
--- /dev/null
+++ b/source/install/build_lammps.sh
@@ -0,0 +1,48 @@
+set -e
+
+# You need to first run ./build_cc.sh
+
+if [ -z "$FLOAT_PREC" ]
+then
+  FLOAT_PREC=high
+fi
+#------------------
+
+SCRIPT_PATH=$(dirname $(realpath -s $0))
+if [ -z "$INSTALL_PREFIX" ]
+then
+  INSTALL_PREFIX=$(realpath -s ${SCRIPT_PATH}/../../dp)
+fi
+mkdir -p ${INSTALL_PREFIX}
+echo "Installing LAMMPS to ${INSTALL_PREFIX}"
+NPROC=$(nproc --all)
+
+#------------------
+
+BUILD_TMP_DIR=${SCRIPT_PATH}/../build_lammps
+mkdir -p ${BUILD_TMP_DIR}
+cd ${BUILD_TMP_DIR}
+# download LAMMMPS
+LAMMPS_VERSION=stable_29Oct2020
+if [ ! -d "lammps-${LAMMPS_VERSION}" ]
+then
+	curl -L -o lammps.tar.gz https://github.com/lammps/lammps/archive/refs/tags/${LAMMPS_VERSION}.tar.gz
+	tar vxzf lammps.tar.gz
+fi
+curl -L -o lammps.patch https://github.com/deepmd-kit-recipes/lammps-dp-feedstock/raw/fdd954a1af4fadabe5c0dd2f3bed260a484175a4/recipe/deepmd.patch
+cd ${BUILD_TMP_DIR}/lammps-${LAMMPS_VERSION}
+patch -f -p1 < ../lammps.patch || true 
+
+mkdir -p ${BUILD_TMP_DIR}/lammps-${LAMMPS_VERSION}/build
+cd ${BUILD_TMP_DIR}/lammps-${LAMMPS_VERSION}/build
+if [ ${FLOAT_PREC} == "high" ]; then
+    export PREC_DEF="-DHIGH_PREC"
+fi
+cmake -C ../cmake/presets/all_off.cmake -D PKG_USER-DEEPMD=ON -D PKG_KSPACE=ON -D CMAKE_INSTALL_PREFIX=${INSTALL_PREFIX} -D CMAKE_CXX_FLAGS="${PREC_DEF} -I${INSTALL_PREFIX}/include -L${INSTALL_PREFIX}/lib -Wl,--no-as-needed -lrt -ldeepmd_op -ldeepmd -ldeepmd_cc -ltensorflow_cc -ltensorflow_framework -Wl,-rpath=${INSTALL_PREFIX}/lib" ../cmake
+
+make -j${NPROC}
+make install
+
+#------------------
+echo "Congratulations! LAMMPS has been installed at ${INSTALL_PREFIX}"
+

From 0ad88569429b4a110f172c81a82926f16c02e99f Mon Sep 17 00:00:00 2001
From: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
Date: Sat, 8 May 2021 03:19:13 -0400
Subject: [PATCH 2/2] copy lammps plugin

---
 source/install/build_lammps.sh | 8 ++++++++
 1 file changed, 8 insertions(+)

diff --git a/source/install/build_lammps.sh b/source/install/build_lammps.sh
index 0cfd77cddf..a4fee95f6f 100755
--- a/source/install/build_lammps.sh
+++ b/source/install/build_lammps.sh
@@ -17,6 +17,12 @@ mkdir -p ${INSTALL_PREFIX}
 echo "Installing LAMMPS to ${INSTALL_PREFIX}"
 NPROC=$(nproc --all)
 
+#------------------
+# copy lammps plugin
+BUILD_TMP_DIR2=${SCRIPT_PATH}/../build
+cd ${BUILD_TMP_DIR2}
+make lammps
+
 #------------------
 
 BUILD_TMP_DIR=${SCRIPT_PATH}/../build_lammps
@@ -32,6 +38,8 @@ fi
 curl -L -o lammps.patch https://github.com/deepmd-kit-recipes/lammps-dp-feedstock/raw/fdd954a1af4fadabe5c0dd2f3bed260a484175a4/recipe/deepmd.patch
 cd ${BUILD_TMP_DIR}/lammps-${LAMMPS_VERSION}
 patch -f -p1 < ../lammps.patch || true 
+mkdir -p ${BUILD_TMP_DIR}/lammps-${LAMMPS_VERSION}/src/USER-DEEPMD
+cp -r ${BUILD_TMP_DIR2}/USER-DEEPMD/* ${BUILD_TMP_DIR}/lammps-${LAMMPS_VERSION}/src/USER-DEEPMD
 
 mkdir -p ${BUILD_TMP_DIR}/lammps-${LAMMPS_VERSION}/build
 cd ${BUILD_TMP_DIR}/lammps-${LAMMPS_VERSION}/build