Environ v1.0 up to v2.0¶

Note

Run the following commands from the QE root directory.

Installing¶

run the script addonpatch.sh with the -patch option

./install/addsonpatch.sh Environ Environ/src Modules -patch

patch the necessary QE files with

./Environ/patches/environpatch.sh -patch

update QE dependencies
```
./install/makedeps.sh
```
re-compile the chosen QE package (pw, cp, tddfpt, or xspectra)
```
make <package>
```

Uninstalling¶

run the QE script addsonpatch.sh with the -revert option

./install/addsonpatch.sh Environ Environ/src Modules -revert

run the Environ installation script with the -revert option
```
./Environ/patches/environpatch.sh -revert
```
run the QE script to regenerate modules’ dependencies
```
./install/makedeps.sh
```
remove objects, modules, and exectuables
```
make clean
```

Known Issues¶

In Environ v1.0, there is an issue with the installation procedure for codes different from pw.x. The problem seems to depend on the compiler, but it is present in the most common Intel Fortran compiler. The solution for this problem requires some work, which is described here, and will be fixed in future releases.

There is some circular dependencies between Environ modules and PW modules, but since the linkers only look for the dependencies written at the time of the Environ installation, they will not be able to function as intended.

To fix this, one can edit the Makefile manually, to add these PW dependencies, so that instead of:

PWOBJS = some-path/PW/src/libpw.a
QEMODS = some-path/Modules/libquemod.a some-more-libraries.a

we have:

PWOBJS = some-path/PW/src/libpw.a
QEMODS = some-path/Modules/libquemod.a some-more-libraries.a some-path/PW/src/libpw.a

This may be necessary for the following files:

PHonon/FD/Makefile
PHonon/Gamma/Makefile
PHonon/PH/Makefile
PWCOND/src/Makefile
TDDFPT/src/Makefile
XSpectra/src/Makefile
GWW/bse/Makefile
GWW/head/Makefile
GWW/pw4gww/Makefile

There is an exception, for the CPV Makefile, instead of this:

QEMODS=../../Modules/libqemod.a

do this:

QEMODS=../../Modules/libqemod.a libcp.a