Merge pull request #40 from issp-center-dev/develop

Develop

CMakeLists.txt

@@ -1,17 +1,20 @@
 cmake_minimum_required(VERSION 3.0 FATAL_ERROR)
 project(StdFace C)
 
-option(UHF "Build uhf_dry.out" ON)
+option(UHF "Build uhf_dry.out" OFF)
 MESSAGE(STATUS "Build uhf_dry.out - ${UHF}")
 
-option(MVMC "Build mvmc_dry.out" ON)
+option(MVMC "Build mvmc_dry.out" OFF)
 MESSAGE(STATUS "Build mvmc_dry.out - ${MVMC}")
 
-option(HPHI "Build hphi_dry.out" ON)
+option(HPHI "Build hphi_dry.out" OFF)
 MESSAGE(STATUS "Build hphi_dry.out - ${HPHI}")
 
-option(HWAVE "Build hwave_dry.out" ON)
+option(HWAVE "Build hwave_dry.out" OFF)
 MESSAGE(STATUS "Build hwave_dry.out - ${HWAVE}")
 
 add_subdirectory(src)
 install(DIRECTORY samples DESTINATION share/stdface)
+
+enable_testing()
+add_subdirectory(test)

README.md

@@ -1,6 +1,6 @@
 # StdFace
 
-An input files generator for
+An input file generator for
 [HPhi](https://github.com/issp-center-dev/HPhi),
 [mVMC](https://github.com/issp-center-dev/mVMC),
 [UHF](https://github.com/issp-center-dev/UHF-dev), and
@@ -13,15 +13,13 @@ C compiler (intel, Fujitsu, GNU, etc. )
 
 ### With Git 
 
-```
-bash
+``` bash
 $ git clone https://github.com/issp-center-dev/StdFace
 ```
 
-
 ### Without Git (supported from ver.1.0)
 
-You can download StdFace from a [release note](https://github.com/issp-center-dev/StdFace/releases).
+You can download StdFace from [release page](https://github.com/issp-center-dev/StdFace/releases).
 
 ## Install StdFace
 
@@ -31,19 +29,47 @@ $ cmake --build build
 $ cmake --install install
 ```
 
-If you define -DUHF=OFF as [options], uhf_dry.out will not be made.
-If you define -DMVMC=OFF as [options], mvmc_dry.out will not be made.
-If you define -DHPHI=OFF as [options], hphi_dry.out will not be made.
-If you define -DHWAVE=OFF as [options], hawave_dry.out will not be made.
+Options need to be specified which programs are to be built:
+
+- ``-DHPHI=ON``
+
+    HPhi mode is enabled. hphi_dry.out and libStdFace_hphi.a will be generated.
+
+- ``-DMVMC=ON``
+
+    mVMC mode is enabled. mvmc_dry.out and libStdFace_mvmc.a will be generated.
+
+- ``-DUHF=ON``
+
+    UHF mode is enabled. uhf_dry.out and libStdFace_uhf.a will be generated.
+
+- ``-DHWAVE=ON``
+
+    H-wave mode is enabled. hwave_dry.out and libStdFace_hwave.a will be generated.
+
+One or more options may be set simultaneously. Defaults are OFF.
+
+
+## Usage
+
+xxx_dry.out (xxx = hphi, mvmc, uhf, hwave) can be done with the following command with input.in as input file.
+
+``` bash
+$ xxx_dry.out input.in
+```
+
+After execution, input files for executing each tool will be generated in the executed directory.
+Descriptions of StdFace input files can be found in the manuals for each tool:
+
+[HPhi](https://github.com/issp-center-dev/HPhi),
+[mVMC](https://github.com/issp-center-dev/mVMC),
+[UHF](https://github.com/issp-center-dev/UHF-dev), and
+[H-wave](https://github.com/issp-center-dev/H-wave).
 
 ## Licence
 
 The distribution of the program package and the source codes for StdFace follow GNU General Public License version 3 ([GPL v3](http://www.gnu.org/licenses/gpl-3.0.en.html)). 
 
 
 ## Author
-Kazuyoshi Yoshimi, Mitsuaki Kawamura.
-
-## Manual
-
-under construction
+Kazuyoshi Yoshimi, Mitsuaki Kawamura, Kota Ido, Yuichi Motoyama, and Tatsumu Aoyama.

src/CMakeLists.txt

@@ -15,29 +15,38 @@ set(SOURCES_StdFace
 )
 
 if(UHF)
-   add_executable(uhf_dry.out dry.c ${SOURCES_StdFace})
+   add_library(StdFace_uhf STATIC ${SOURCES_StdFace})
+   target_compile_definitions(StdFace_uhf PUBLIC _UHF)
+   add_executable(uhf_dry.out dry.c)
    target_compile_definitions(uhf_dry.out PUBLIC _UHF)
-   target_link_libraries(uhf_dry.out PUBLIC m)
+   target_link_libraries(uhf_dry.out PUBLIC StdFace_uhf m)
    install(TARGETS uhf_dry.out RUNTIME DESTINATION bin)
 endif()
 
 if(MVMC)
-   add_executable(mvmc_dry.out dry.c ${SOURCES_StdFace})
+   add_library(StdFace_mvmc STATIC ${SOURCES_StdFace})
+   target_compile_definitions(StdFace_mvmc PUBLIC _mVMC)
+   add_executable(mvmc_dry.out dry.c)
    target_compile_definitions(mvmc_dry.out PUBLIC _mVMC)
-   target_link_libraries(mvmc_dry.out PUBLIC m)
+   target_link_libraries(mvmc_dry.out PUBLIC StdFace_mvmc m)
    install(TARGETS mvmc_dry.out RUNTIME DESTINATION bin)
 endif()
 
 if(HPHI)
-   add_executable(hphi_dry.out dry.c ${SOURCES_StdFace})
+   add_library(StdFace_hphi STATIC ${SOURCES_StdFace})
+   target_compile_definitions(StdFace_hphi PUBLIC _HPhi)
+   add_executable(hphi_dry.out dry.c)
    target_compile_definitions(hphi_dry.out PUBLIC _HPhi)
-   target_link_libraries(hphi_dry.out PUBLIC m)
+   target_link_libraries(hphi_dry.out PUBLIC StdFace_hphi m)
    install(TARGETS hphi_dry.out RUNTIME DESTINATION bin)
 endif()
 
 if (HWAVE)
-   add_executable(hwave_dry.out dry.c ${SOURCES_StdFace})
+   add_library(StdFace_hwave STATIC ${SOURCES_StdFace})
+   target_compile_definitions(StdFace_hwave PUBLIC _HWAVE)
+   add_executable(hwave_dry.out dry.c)
    target_compile_definitions(hwave_dry.out PUBLIC _HWAVE)
-   target_link_libraries(hwave_dry.out PUBLIC m)
+   target_link_libraries(hwave_dry.out PUBLIC StdFace_hwave m)
    install(TARGETS hwave_dry.out RUNTIME DESTINATION bin)
 endif()
+

test/CMakeLists.txt

@@ -0,0 +1,15 @@
+if (HPHI)
+    add_subdirectory(hphi)
+endif()
+
+if (MVMC)
+    add_subdirectory(mvmc)
+endif()
+
+if (UHF)
+    add_subdirectory(uhf)
+endif()
+
+if (HWAVE)
+    add_subdirectory(hwave)
+endif()

test/almost_diff.py

@@ -0,0 +1,57 @@
+import sys
+
+#EPS = 0.0
+EPS = 1.0e-12
+
+if len(sys.argv) < 3:
+    print("usage: {} file1 file2".format(sys.argv[0]))
+    sys.exit(0)
+
+file_a = sys.argv[1]
+file_b = sys.argv[2]
+
+with open(file_a, "r") as fp:
+    lines_a = fp.readlines()
+with open(file_b, "r") as fp:
+    lines_b = fp.readlines()
+
+err = 0
+for idx, (ta, tb) in enumerate(zip(lines_a, lines_b)):
+    vas = ta.split()
+    vbs = tb.split()
+    if len(vas) != len(vbs):
+        print("DIFF: line {}: number of keywords differ: {} {}".format(idx, len(vas), len(vbs)))
+        continue
+    for va, vb in zip(vas, vbs):
+        # literally equal
+        if va == vb:
+            continue
+        # try compare as intergers
+        try:
+            iva = int(va)
+            ivb = int(vb)
+            if iva == ivb:
+                continue
+        except ValueError:
+            pass
+        # try compare as floating point numbers
+        try:
+            fva = float(va)
+            fvb = float(vb)
+            if abs(fva) < EPS and abs(fvb) < EPS:
+                r = abs(fva - fvb)
+            else:
+                r = abs(fva - fvb) / (abs(fva) + abs(fvb))
+            if r < EPS:
+                continue
+        except ValueError:
+            pass
+        # different anyway
+        err += 1
+        print("DIFF: line {}: \"{}\" \"{}\"".format(idx, va, vb))
+
+if err > 0:
+    print("compare failed (err={})".format(err))
+    sys.exit(1)
+
+sys.exit(0)