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Scientific Software
CrysFML
Commits
7310a04a
Commit
7310a04a
authored
May 10, 2022
by
Elisa Rebolini
Browse files
update README
parent
2134c29f
Pipeline
#13667
passed with stages
in 5 minutes and 9 seconds
Changes
5
Pipelines
1
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AUTHORS
→
AUTHORS
.txt
View file @
7310a04a
File moved
CMakeLists.txt
View file @
7310a04a
...
...
@@ -9,9 +9,7 @@ option(MINGW_HDF_TRICK "Help building with MinGW" OFF)
option
(
USE_HDF
"Build crysfml with HDF5 library"
OFF
)
option
(
GUI
"Build crysfml and wcrysfml library"
OFF
)
option
(
ARCH32
"32 or 64 bit architecture"
ON
)
option
(
CRYSFML08
"Build CrysFML08"
OFF
)
option
(
HEAP_ARRAYS
"Put arrays in heap instead of stack (only for Windows ifort)"
OFF
)
option
(
PROG_EX
"Build the Program Examples"
ON
)
option
(
PYTHON_API
"Build Python API"
OFF
)
option
(
QPARALLEL
"qparallel option for Ifort on Windows"
ON
)
option
(
PYSETUP
"Building from setup.py"
OFF
)
...
...
@@ -42,12 +40,9 @@ message(STATUS "Setting CMAKE_INSTALL_PREFIX to ${CMAKE_INSTALL_PREFIX}")
if
(
DEFINED CRYSFML_PREFIX
)
set
(
CRYSFML_PREFIX
${
CRYSFML_PREFIX
}
)
else
()
if
(
CRYSFML08
)
set
(
CRYSFML_PREFIX LibC08
)
else
()
set
(
CRYSFML_PREFIX LibC
)
endif
()
set
(
CRYSFML_PREFIX LibC
)
endif
()
set
(
CRYSFML_PREFIX
${
CMAKE_INSTALL_PREFIX
}
/
${
CRYSFML_PREFIX
}
)
message
(
STATUS
"CrysFML installation path set to
${
CRYSFML_PREFIX
}
"
)
...
...
@@ -84,17 +79,17 @@ message(STATUS "CrysFML installation path set to ${CRYSFML_PREFIX}")
# Include and library paths for HDF5.
# They must be set by the user.
if
(
DEFINED HDF5_INCLUDE_PATH
)
set
(
HDF5_INCLUDE_PATH
${
HDF5_INCLUDE_PATH
}
CACHE PATH
"HDF5 include path"
)
else
()
set
(
HDF5_INCLUDE_PATH
""
CACHE PATH
"HDF5 include path"
)
endif
()
#
if(DEFINED HDF5_INCLUDE_PATH)
#
set(HDF5_INCLUDE_PATH ${HDF5_INCLUDE_PATH} CACHE PATH "HDF5 include path")
#
else()
#
set(HDF5_INCLUDE_PATH "" CACHE PATH "HDF5 include path")
#
endif()
if
(
DEFINED HDF5_LIBRARY_PATH
)
set
(
HDF5_LIBRARY_PATH
${
HDF5_LIBRARY_PATH
}
CACHE PATH
"HDF5 library path"
)
else
()
set
(
HDF5_LIBRARY_PATH
""
CACHE PATH
"HDF5 library path"
)
endif
()
#
if(DEFINED HDF5_LIBRARY_PATH)
#
set(HDF5_LIBRARY_PATH ${HDF5_LIBRARY_PATH} CACHE PATH "HDF5 library path")
#
else()
#
set(HDF5_LIBRARY_PATH "" CACHE PATH "HDF5 library path")
#
endif()
#################################
# Project section
...
...
@@ -126,17 +121,12 @@ endif()
# Includes some modules and build the project.
include
(
add_prefix
)
include
(
add_suffix
)
if
(
NOT CRYSFML08
)
include
(
set_compiler_flags
)
set_compiler_flags
()
# The subdirectories of the project.
add_subdirectory
(
Src
)
else
()
include
(
set_compiler_flags_08
)
set_compiler_flags_08
()
# The subdirectories of the project.
add_subdirectory
(
Src08
)
endif
()
include
(
set_compiler_flags
)
set_compiler_flags
()
# The subdirectories of the project.
add_subdirectory
(
Src
)
# Build the program example executables and use them as functional tests
if
(
PROG_EX
)
...
...
LICENSE
→
LICENSE
.txt
View file @
7310a04a
File moved
README
→
README
.md
View file @
7310a04a
...
...
@@ -4,35 +4,23 @@ workspaces that can be used in the compiler environment of your choice.
Here are the instructions to run cmake in order to build the CrysFML library.
***
1.
download and install a recent version of cmake (>= 3.0.0 required)
1) download and install a recent version of cmake (>= 2.8.0 required)
***
2) check that the cmake binary directory is in the PATH altogether
2.
check that the cmake binary directory is in the PATH altogether
with the different compilers that will be used for the build.
***
3) set the environment variable CRYSFML to the directory where the README is
3.
set the environment variable CRYSFML to the directory where the README.md is
located.
***
4) create a directory wherever you want that will contain the files
4.
create a directory wherever you want that will contain the files
generated during the build (e.g. ${CRYSFML}/build).
If you intend to do the build as superuser, this directory should
give recursively the writing rights for every user.
Now you are ready for the cmake run that will configure your build.
***
5
)
change directory to the build directory created in step 4.
5
.
change directory to the build directory created in step 4.
***
6) the CMake usage is:
6.
the CMake usage is:
cmake -G generator -Dvariable=value path_to_your_source_directory
...
...
@@ -61,7 +49,7 @@ Here are the instructions to run cmake in order to build the CrysFML library.
Useful CMake variables (case sensitive):
* USE_HDF: ON|OFF.
*
USE_HDF: ON|OFF.
(Deprecated)
Default OFF
If ON, CrysFML will be able to read NeXuS input data files.
...
...
@@ -69,7 +57,19 @@ Here are the instructions to run cmake in order to build the CrysFML library.
Default OFF
If OFF, only CrysFML will be built.
If ON, both CrysFML and WCrysFML libraries will be built
*
ARCH32: ON|OFF
Default ON
If ON 32-bits architecture is built
*
HEAP_ARRAYS: ON|OFF
Default OFF
Put arrays in heap instead of stack (only for Windows ifort)
*
PYTHON_API: ON|OFF
Default OFF
If ON, build the Python API
*
CMAKE_Fortran_COMPILER: ifort|g95|gfortran.
Default ifort.
Sets the compiler to use for the build.
...
...
@@ -93,9 +93,8 @@ Here are the instructions to run cmake in order to build the CrysFML library.
Sets the name of the subdirectory within CMAKE_INSTALL_PREFIX where
wcrysfml will be installed.
***
7
)
the final step is now to build and install the library. The command to invoke will
7
.
the final step is now to build and install the library. The command to invoke will
depend on the generator used for the build.
Examples:
...
...
setup.py
View file @
7310a04a
...
...
@@ -325,7 +325,7 @@ class BuildCommand(distutils.command.build.build):
setup
(
name
=
"CFML"
,
version
=
"0.0.
2
"
,
version
=
"0.0.
3
"
,
author
=
"Juan Rodriguez-Carvajal, Elisa Rebolini, Simon Ward"
,
author_email
=
"rebolini@ill.fr"
,
description
=
"The Crystallographic Fortran Modules Library (CrysFML) is a set of modules containing "
...
...
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