Changes between Version 8 and Version 9 of G2onPy3

Timestamp:

Jan 18, 2021 1:57:09 PM (2 years ago)

Author:

toby

Comment:

--

G2onPy3

@@ -1 +1 @@
 = GSAS-II with Python 3.x =
+
+***This page is out of date but is being retained to keep build information at bottom***
 
 GSAS-II has been packaged with Python 3.6, wxPython 4.0 and the lastest compatible versions of all other packages into a single-download installer. While a single set of files is used to run GSAS-II, regardless of platform or Python/package versions, there are potential differences in how some code behaves with these changes. We consider these packages to be somewhat experimental until we gain more experience and would encourage experienced users to try them out, before removing their existing Python 2.7-based GSAS-II installation. 
@@ -63 +65 @@
 
 
-
+== Windows 64 build commands ==
+{{{
+rem ========== Configure
+set condaHome=C:\jenkins\conda37-64
+set sysType=win-64
+rem ========== Anaconda stuff
+call %condaHome%\Scripts\activate
+REM call conda update conda -y
+REM call conda create -n py37n119 python=3.7 numpy=1.19 matplotlib=3.3 wxpython=4 conda scipy pillow svn imageio anaconda-client constructor conda-build pyopengl h5py hdf5 pywin32 scons m2w64-gcc-fortran -y 
+call %condaHome%\Scripts\activate py37n119
+REM call conda install m2w64-gcc-fortran -y
+REM call conda install -c msys2 m2w64-ntldd-git
+REM call conda list
+REM ====================================================================================
+REM rmdir .\GSASII /s /q
+REM mkdir .\GSASII
+rmdir .\GSASII\AllBinaries /s /q
+mkdir .\GSASII\AllBinaries
+svn co https://subversion.xray.aps.anl.gov/pyGSAS/trunk/fsource .\GSASII\fsource
+cd GSASII\fsource
+where gfortran
+where scons
+call scons -c
+call scons install=T 
+REM LIBGCC=T LIBGFORTRAN=T removed
+cd ..
+rem #=# find the build dir name; add info to Build notes
+for /f "usebackq" %%i in ( `dir .\AllBinaries /ad /b` ) do set newdir=%%i
+echo %newdir%
+echo on
+REM ========== Create a note on how binaries were created =======================
+echo Built with Jeeves from %JOB_NAME% from G2 version %SVN_REVISION% on %NODE_LABELS% >> AllBinaries\%newdir%\Build.notes.txt
+REM systeminfo | findstr /B /C:"OS Name" /C:"OS Version" >> AllBinaries\%newdir%\Build.notes.txt
+call conda list -f python | findstr /B /C:# /V >> AllBinaries\%newdir%\Build.notes.txt
+call conda list -f numpy | findstr /B /C:# /V  >> AllBinaries\%newdir%\Build.notes.txt
+call conda list -f m2w64-gcc-fortran | findstr /B /C:# /V >> AllBinaries\%newdir%\Build.notes.txt
+REM ============ End of note on how binaries were created =======================
+svn co -q https://subversion.xray.aps.anl.gov/pyGSAS/Binaries .\Binaries
+rmdir .\Binaries\%newdir% /s
+mkdir .\Binaries\%newdir%
+copy /y .\AllBinaries\%newdir%\* .\Binaries\%newdir%
+REM
+rem== Note: see https://anaconda.org/msys2/m2w64-ntldd-git for a utility that can find dependencies.
+rem conda install -c msys2 m2w64-ntldd-git
+ntldd .\Binaries\%newdir%\*.pyd
+rem== (Diffax: files libquadmath-0.dll, libwinpthread-1.dll)
+REM dir C:\Jenkins\conda37-64\envs\py37n119\Library\mingw-w64\bin
+REM dir C:\Jenkins\conda37-64\envs\py37n119\Library\mingw-w64\lib
+REM dir %condaHome%\envs\py37n119\Library\mingw-w64\bin\lib*.dll
+copy /y %condaHome%\envs\py37n119\Library\mingw-w64\bin\libgfortran*.dll .\Binaries\%newdir%
+ntldd .\Binaries\%newdir%\*.dll
+copy /y %condaHome%\envs\py37n119\Library\mingw-w64\bin\libgcc*.dll .\Binaries\%newdir%
+REM copy /y %condaHome%\envs\py37n119\Library\mingw-w64\bin\libgmp*.dll .\Binaries\%newdir%
+copy /y %condaHome%\envs\py37n119\Library\mingw-w64\bin\libquadmath*.dll .\Binaries\%newdir%
+copy /y %condaHome%\envs\py37n119\Library\mingw-w64\bin\libwinpthread*.dll .\Binaries\%newdir%
+ntldd .\Binaries\%newdir%\*.dll
+svn add --no-ignore .\Binaries\%newdir%
+svn add --no-ignore .\Binaries\%newdir%\*
+svn st .\Binaries\%newdir%
+svn ci -m"Build with %JOB_NAME% on %NODE_LABELS%" --username <omitted> --password %JENKINS_PASS%  --non-interactive .\Binaries
+rem =========== Build the conda package and upload
+cd ..
+cd GSAS-II\install
+call conda build purge
+python setversion.py
+echo off
+call conda build g2complete --output-folder C:\Jenkins\g2builds
+rem =========== Build the self-installer & copy to web
+del *.exe
+call constructor --clean
+call constructor g2full
+for /f "usebackq" %%i in ( `dir gsas2full*.exe /b` ) do copy %%i gsas2full-Latest-Windows-x86_64.exe
+for /f "usebackq" %%i in ( `dir gsas2full*.exe /b` ) do scp %%i <acct@node.aps.anl.gov>:/home/joule/SVN/subversion/pyGSAS/downloads
+}}}
+''(PKG_full_Win64 2021-01-16 20:17:56)''
+
+== Windows 32 build commands ==
+{{{
+rem ========== Configure
+REM scp <acct@node.aps.anl.gov>:Miniconda3-latest-Windows-x86.exe .
+REM mkdir C:\Jenkins\g2builds
+dir C:\Jenkins\g2builds
+set condaHome=C:\jenkins\conda37-32
+set sysType=win-32
+rem ========== Anaconda stuff
+call %condaHome%\Scripts\activate
+REM call conda update conda -y
+REM call conda create -n py37n119 python=3.7 numpy=1.19 matplotlib=3.3 wxpython=4 conda scipy pillow svn imageio anaconda-client constructor conda-build pyopengl h5py hdf5 pywin32 scons m2w64-gcc-fortran libpython -y 
+call %condaHome%\Scripts\activate py37n119
+call conda install -c msys2 m2w64-ntldd-git
+REM call conda list
+REM ====================================================================================
+REM rmdir .\GSASII /s /q
+REM mkdir .\GSASII
+rmdir .\GSASII\AllBinaries /s /q
+mkdir .\GSASII\AllBinaries
+svn co https://subversion.xray.aps.anl.gov/pyGSAS/trunk/fsource .\GSASII\fsource
+cd GSASII\fsource
+where gfortran
+REM====>>REM call scons -c
+call scons install=T 
+REM removed LIBGFORTRAN=T LIBGCC=T
+cd ..
+rem #=# find the build dir name; add info to Build notes
+for /f "usebackq" %%i in ( `dir .\AllBinaries /ad /b` ) do set newdir=%%i
+echo %newdir%
+echo on
+REM ========== Create a note on how binaries were created =======================
+echo Built with Jeeves from %JOB_NAME% from G2 version %SVN_REVISION% on %NODE_LABELS% >> AllBinaries\%newdir%\Build.notes.txt
+REM systeminfo | findstr /B /C:"OS Name" /C:"OS Version" >> AllBinaries\%newdir%\Build.notes.txt
+call conda list -f python | findstr /B /C:# /V >> AllBinaries\%newdir%\Build.notes.txt
+call conda list -f numpy | findstr /B /C:# /V  >> AllBinaries\%newdir%\Build.notes.txt
+call conda list -f m2w64-gcc-fortran | findstr /B /C:# /V >> AllBinaries\%newdir%\Build.notes.txt
+REM ============ End of note on how binaries were created =======================
+svn co -q https://subversion.xray.aps.anl.gov/pyGSAS/Binaries .\Binaries
+rmdir .\Binaries\%newdir% /s
+mkdir .\Binaries\%newdir%
+copy /y .\AllBinaries\%newdir%\* .\Binaries\%newdir%
+REM
+rem== Note: see https://anaconda.org/msys2/m2w64-ntldd-git for a utility that can find dependencies.
+rem conda install -c msys2 m2w64-ntldd-git
+REM dir C:\Jenkins\conda37-32\envs\py37n119\Library\mingw-w64\bin
+REM dir %condaHome%\Library\mingw-w64\bin
+ntldd .\Binaries\%newdir%\*.pyd
+copy /y %condaHome%\envs\py37n119\Library\mingw-w64\bin\libgfortran*.dll .\Binaries\%newdir%
+copy /y %condaHome%\envs\py37n119\Library\mingw-w64\bin\libgcc*.dll .\Binaries\%newdir%
+ntldd .\Binaries\%newdir%\*.dll
+REM copy /y %condaHome%\envs\py37n119\Library\mingw-w64\bin\libgmp*.dll .\Binaries\%newdir%
+copy /y %condaHome%\envs\py37n119\Library\mingw-w64\bin\libquadmath*.dll .\Binaries\%newdir%
+copy /y %condaHome%\envs\py37n119\Library\mingw-w64\bin\libwinpthread*.dll .\Binaries\%newdir%
+ntldd .\Binaries\%newdir%\*.dll
+svn add --no-ignore .\Binaries\%newdir%
+svn add --no-ignore .\Binaries\%newdir%\*
+svn st .\Binaries\%newdir%
+svn ci -m"Build with %JOB_NAME% on %NODE_LABELS%" --username <omitted> --password %JENKINS_PASS%  --non-interactive .\Binaries
+rem =========== Build the conda package and upload
+cd ..
+cd GSAS-II\install
+call conda build purge
+python setversion.py
+echo off
+call conda build g2complete --output-folder C:\Jenkins\g2builds
+rem =========== Build the self-installer & copy to web
+del *.exe
+call constructor --clean
+call constructor g2full
+for /f "usebackq" %%i in ( `dir gsas2full*.exe /b` ) do copy %%i gsas2full-Latest-Windows-x86.exe
+for /f "usebackq" %%i in ( `dir gsas2full*.exe /b` ) do scp %%i <acct@node.aps.anl.gov>:/home/joule/SVN/subversion/pyGSAS/downloads
+exit
+}}}
+''(PKG_full_Win32 2021-01-17 09:38:41)''
+
+== MacOS 64 build commands ==
+{{{
+condaHome=$WORKSPACE/conda37
+sysType=osx-64
+#========== Anaconda stuff
+#curl https://repo.anaconda.com/miniconda/Miniconda3-latest-MacOSX-x86_64.sh > ./Miniconda3-latest.sh 
+#bash ./Miniconda3-latest.sh -b -p $WORKSPACE/conda37
+#rm ./Miniconda3-*.sh 
+set +x
+echo 'source $condaHome/bin/activate'
+source $condaHome/bin/activate
+# wx, pyopengl, scons not available with Py39 in defaults
+#echo conda create -n py39n1.19 python=3.9 numpy=1.19 matplotlib=3.3 conda scipy pillow svn h5py imageio gfortran_osx-64 -y
+#     conda create -n py39n1.19 python=3.9 numpy=1.19 matplotlib=3.3 conda scipy pillow svn h5py imageio gfortran_osx-64 -y
+# cant live without scons
+#echo conda install scons -n py39n1.19 -c defaults -c conda-forge
+#     conda install scons -n py39n1.19 -c defaults -c conda-forge
+echo 'conda activate py39n1.19'
+conda activate py39n1.19
+
+#
+#echo conda update -n base -c defaults conda -y
+#     conda update -n base -c defaults conda -y
+#
+#echo conda env remove -n py37n1.18 
+#     conda env remove -n py37n1.18 
+#
+#echo conda create -n py37n1.18 python=3.7 numpy=1.18 matplotlib=3.3 wxpython=4.0 conda scipy pillow pyopengl svn h5py imageio python.app=2 anaconda-client constructor conda-build scons gfortran_osx-64 -y
+#     conda create -n py37n1.18 python=3.7 numpy=1.18 matplotlib=3.3 wxpython=4.0 conda scipy pillow pyopengl svn h5py imageio python.app=2 anaconda-client constructor conda-build scons gfortran_osx-64 -y
+#echo 'conda activate py37n1.18'
+#conda activate py37n1.18
+#conda info --envs
+#==================================== Build of .so files ==================================
+#ls -l  $CONDA_PREFIX/bin/*gfortran
+# gfortran seems to be setup by conda
+#ln -sf $CONDA_PREFIX/bin/x86_64-conda_cos6-linux-gnu-gfortran $CONDA_PREFIX/bin/gfortran
+#
+#
+set -x
+which python
+#python -c 'import sys; print("py=",sys.version); import numpy; print("np=",numpy.__version__)'
+#python -c 'import wx; print("wx=",wx.__version__); import matplotlib; print("mpl=",matplotlib.__version__)'
+#=======================
+# get source code
+#=======================
+rm -rf $WORKSPACE/GSASII
+mkdir -p $WORKSPACE/GSASII
+svn co https://subversion.xray.aps.anl.gov/pyGSAS/trunk/fsource $WORKSPACE/GSASII/fsource
+########################
+# start compile process
+########################
+gfortran -v
+rm -rf GSASII/AllBinaries
+cd $WORKSPACE/GSASII/fsource
+gfortran -v
+scons -c # cleanup old
+set +x
+#scons install=T FORTpath=$CONDA_PREFIX/bin
+scons install=T LIBGFORTRAN=T  # seems OK on OSX
+# document build
+#=# find the build dir name; add info to Build notes
+set -x
+newdir=`cd ../AllBinaries/; ls -d mac*`
+echo $newdir
+echo "Built with Jeeves from $JOB_NAME from G2 version $SVN_REVISION on $NODE_LABELS" >> ../AllBinaries/$newdir/Build.notes.txt
+sw_vers >> ../AllBinaries/$newdir/Build.notes.txt
+conda list -f python | tail -1 >> ../AllBinaries/$newdir/Build.notes.txt
+conda list -f numpy | tail -1 >> ../AllBinaries/$newdir/Build.notes.txt
+conda list -f gfortran_linux-64 | tail -1 >> ../AllBinaries/$newdir/Build.notes.txt
+#================
+# Upload binaries
+#================
+svn co -q https://subversion.xray.aps.anl.gov/pyGSAS/Binaries $WORKSPACE/Binaries
+if [ ! -d $WORKSPACE/Binaries/$newdir ]
+then
+    mkdir $WORKSPACE/Binaries/$newdir
+    svn add $WORKSPACE/Binaries/$newdir
+fi
+python $WORKSPACE/Binaries/macRelink.py ../AllBinaries/$newdir
+cp ../AllBinaries/$newdir/* $WORKSPACE/Binaries/$newdir
+cp $CONDA_PREFIX/lib/libgcc_s.1.dylib $WORKSPACE/Binaries/$newdir/
+cp $CONDA_PREFIX/lib/libquadmath.0.dylib $WORKSPACE/Binaries/$newdir/
+svn add --force $WORKSPACE/Binaries/$newdir/*
+svn st $WORKSPACE/Binaries
+svn ci -m"Build with $JOB_NAME on $NODE_LABELS" --username <omitted> --password $JENKINS_PASS  --non-interactive $WORKSPACE/Binaries
+#
+exit
+
+#=========================== Build of g2complete package ==================================
+#
+#=============================
+# Use commands below to build
+#=============================
+cd $WORKSPACE/GSAS-II/install
+python setversion.py
+mkdir -p ~/builds
+rm -rf ~/builds/*
+set +x
+echo conda build purge
+     conda build purge
+echo conda build g2complete --numpy 1.18 --python 3.7 --output-folder ~/builds
+     conda build g2complete --numpy 1.18 --python 3.7 --output-folder ~/builds
+#
+#=========================== Build/upload of g2full installer =============================
+#
+# Build the self-installer
+rm -f *.sh
+constructor g2full
+set -x
+ls -l *.sh
+# copy to "Latest" and upload
+cp gsas2full-*-MacOSX-x86_64.sh gsas2full-Latest-MacOSX-x86_64.sh
+# copy to https://subversion.xray.aps.anl.gov/admin_pyGSAS/downloads/gsas2full-*-MacOSX-x86_64.sh
+scp gsas2full-*.sh <acct@node.aps.anl.gov>:/home/joule/SVN/subversion/pyGSAS/downloads/
+echo files found at https://subversion.xray.aps.anl.gov/admin_pyGSAS/downloads/gsas2full-*-MacOSX-x86_64.sh
+ssh <acct@node.aps.anl.gov> ls -lt /home/joule/SVN/subversion/pyGSAS/downloads/gsas2full-*-MacOSX-*.sh
+}}}
+''(PKG_full_MacX86      2021-01-08 15:39:43)''
+
+== Linux 64 build commands ==
+{{{
+condaHome=/Jenkins/jenkins/conda37
+sysType=linux-64
+#========== Anaconda stuff
+#curl https://repo.continuum.io/miniconda/Miniconda3-latest-Linux-x86_64.sh > ./Miniconda3-latest-Linux-x86_64.sh 
+#bash ./Miniconda3-latest-Linux-x86_64.sh -b -p /Jenkins/jenkins/conda37
+#rm ./Miniconda3-*.sh 
+set +x
+echo 'source $condaHome/bin/activate'
+source $condaHome/bin/activate
+# wx not available with Py38
+#echo conda create -n py38n1.18 python=3.8 numpy=1.18 matplotlib=3.3 wxpython=4.0 conda scipy pillow pyopengl svn h5py imageio anaconda-client constructor conda-build scons gfortran_linux-64 -y
+#     conda create -n py38n1.18 python=3.8 numpy=1.18 matplotlib=3.3 wxpython=4.0 conda scipy pillow pyopengl svn h5py imageio anaconda-client constructor conda-build scons gfortran_linux-64 -y
+#conda info --envs
+#echo 'conda activate py38n1.18'
+#conda activate py38n1.18
+#
+#echo conda update -n base -c defaults conda -y
+#     conda update -n base -c defaults conda -y
+#
+#echo conda env remove -n py37n1.18 
+#     conda env remove -n py37n1.18 
+#
+#echo conda create -n py37n1.18 python=3.7 numpy=1.18 matplotlib=3.3 wxpython=4.0 conda scipy pillow pyopengl svn h5py imageio anaconda-client constructor conda-build scons gfortran_linux-64 -y
+#     conda create -n py37n1.18 python=3.7 numpy=1.18 matplotlib=3.3 wxpython=4.0 conda scipy pillow pyopengl svn h5py imageio anaconda-client constructor conda-build scons gfortran_linux-64 -y
+#conda info --envs
+echo 'conda activate py37n1.18'
+conda activate py37n1.18
+which gfortran
+ls -l  $CONDA_PREFIX/bin/x86_64-conda_cos6-linux-gnu-gfortran
+ln -sf $CONDA_PREFIX/bin/x86_64-conda_cos6-linux-gnu-gfortran $CONDA_PREFIX/bin/gfortran
+which gfortran
+#
+#
+set -x
+which python
+python -c 'import sys; print("py=",sys.version); import numpy; print("np=",numpy.__version__)'
+python -c 'import wx; print("wx=",wx.__version__); import matplotlib; print("mpl=",matplotlib.__version__)'
+#=======================
+# get source code
+#=======================
+#DEBUG#
+rm -rf $WORKSPACE/GSASII
+mkdir -p $WORKSPACE/GSASII
+svn co https://subversion.xray.aps.anl.gov/pyGSAS/trunk/fsource $WORKSPACE/GSASII/fsource
+########################
+# start compile process
+########################
+gfortran -v
+rm -rf GSASII/AllBinaries
+cd $WORKSPACE/GSASII/fsource
+which gfortran
+gfortran -v
+#DEBUG#
+scons -c # cleanup old
+set +x
+#DEBUG#
+scons install=T FORTpath=$CONDA_PREFIX/bin
+#scons install=T LIBGFORTRAN=T  # does not work with Conda gfortran
+# document build
+#=# find the build dir name; add info to Build notes
+set -x
+newdir=`cd ../AllBinaries/; ls -d linux*`
+echo $newdir
+echo "Built with Jeeves from $JOB_NAME from G2 version $SVN_REVISION on $NODE_LABELS" >> ../AllBinaries/$newdir/Build.notes.txt
+cat /etc/system-release >> ../AllBinaries/$newdir/Build.notes.txt
+conda list -f python | tail -1 >> ../AllBinaries/$newdir/Build.notes.txt
+conda list -f numpy | tail -1 >> ../AllBinaries/$newdir/Build.notes.txt
+conda list -f gfortran_linux-64 | tail -1 >> ../AllBinaries/$newdir/Build.notes.txt
+#================
+# Upload binaries
+#================
+svn co -q https://subversion.xray.aps.anl.gov/pyGSAS/Binaries $WORKSPACE/Binaries
+if [ ! -d $WORKSPACE/Binaries/$newdir ]
+then
+    mkdir $WORKSPACE/Binaries/$newdir
+    svn add $WORKSPACE/Binaries/$newdir
+    cp ../AllBinaries/$newdir/* $WORKSPACE/Binaries/$newdir
+    cp $condaHome/lib/libgfortran.so.4.0.0 $WORKSPACE/Binaries/$newdir/
+else
+    cp ../AllBinaries/$newdir/* $WORKSPACE/Binaries/$newdir
+    cp $CONDA_PREFIX/lib/libgfortran.so.4.0.0 $WORKSPACE/Binaries/$newdir/
+fi
+svn add --force $WORKSPACE/Binaries/$newdir/*
+svn st $WORKSPACE/Binaries
+#DEBUG#
+svn ci -m"Build with $JOB_NAME on $NODE_LABELS" --username <omitted> --password $JENKINS_PASS  --non-interactive $WORKSPACE/Binaries
+
+#=============================
+# Use commands below to build
+#=============================
+cd $WORKSPACE/GSAS-II/install
+python setversion.py
+mkdir -p ~/builds
+set +x
+echo conda build purge
+     conda build purge
+echo conda build g2complete --numpy 1.18 --python 3.7 --output-folder ~/builds
+     conda build g2complete --numpy 1.18 --python 3.7 --output-folder ~/builds
+#=========== Build the self-installer & copy (someday upload?)
+rm -f *.sh
+constructor g2full
+set -x
+ls -l *.sh
+#=============================
+cp gsas2full-*-Linux-x86_64.sh gsas2full-Latest-Linux-x86_64.sh
+scp gsas2full-*.sh <acct@node.aps.anl.gov>:/home/joule/SVN/subversion/pyGSAS/downloads/
+ssh <acct@node.aps.anl.gov> ls -lt /home/joule/SVN/subversion/pyGSAS/downloads/gsas2full-*-Linux-*.sh
+}}}
+''(PKG_full_Linux64     2021-01-08 15:44:21)''