Initial commit

groups/soft_group/CMakeLists.txt

@@ -0,0 +1,23 @@
+#
+# 统一调度
+#
+
+if(INSTALL_OPENMPI)
+    add_subdirectory(openmpi)
+endif()
+
+if(INSTALL_MPICH)
+    add_subdirectory(mpich)
+endif()
+
+if(INSTALL_VASP)
+    add_subdirectory(vasp)
+endif()
+
+if(INSTALL_AMBER)
+    add_subdirectory(amber)
+endif()
+
+if(INSTALL_FFTW)
+    add_subdirectory(fftw)
+endif()

groups/soft_group/fftw/CMakeLists.txt

@@ -0,0 +1,16 @@
+#
+# 调用通用编译函数
+#
+
+# 定义下载地址，调用通用编译函数
+set(FFTW_URL "http://www.fftw.org/fftw-${FFTW_VER}.tar.gz")
+SrcBuild(fftw ${FFTW_VER} ${FFTW_URL})
+
+SET_INSTALL_PATH(fftw ${FFTW_VER} FFTW_INSTALL)
+
+if(GENERATE_MODULE_FILES)
+    GenerateModule(fftw ${FFTW_VER} ${FFTW_INSTALL})
+    DEPLOY_MSG("Generated module file for fftw")
+else()
+    DEPLOY_MSG("Skipping module file generation (GENERATE_MODULE_FILES=OFF)")
+endif()

groups/soft_group/openmpi/CMakeLists.txt

@@ -0,0 +1,16 @@
+#
+# 调用通用编译函数安装 OpenMPI
+#
+
+# 定义下载地址，调用通用编译函数
+set(MPI_URL "https://download.open-mpi.org/release/open-mpi/v4.1/openmpi-${OPENMPI_VER}.tar.gz")
+SrcBuild(openmpi ${OPENMPI_VER} ${MPI_URL})
+
+# 可选：生成 module 环境文件
+SET_INSTALL_PATH(openmpi ${OPENMPI_VER} MPI_INSTALL)
+if(GENERATE_MODULE_FILES)
+    GenerateModule(openmpi ${OPENMPI_VER} ${MPI_INSTALL})
+    DEPLOY_MSG("Generated module file for openmpi")
+else()
+    DEPLOY_MSG("Skipping module file generation (GENERATE_MODULE_FILES=OFF)")
+endif()