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Travis with stages (#128)
* Travis in stages * Changed ubuntu to bionic * updated travis scripts
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23
.travis.yml
23
.travis.yml
@ -8,7 +8,7 @@
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os: linux
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dist: trusty
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dist: bionic
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sudo: false
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@ -29,12 +29,23 @@ env:
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cache:
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directories:
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- $HOME/.opam/
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- $HOME/cache
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language: python
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python:
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- "2.7"
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- "3.7"
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stages:
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- configuration
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- compilation
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- testing
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jobs:
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include:
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- stage: configuration
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script: travis/configuration.sh
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- stage: compilation
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script: travis/compilation.sh
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- stage: testing
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script: travis/testing.sh
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script:
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- ./configure --install all --config ./config/travis.cfg
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- source ./quantum_package.rc ; ninja -j 1 -v
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- source ./quantum_package.rc ; qp_test -a
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24
INSTALL.rst
24
INSTALL.rst
@ -36,7 +36,7 @@ Requirements
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- Fortran compiler : GNU Fortran, Intel Fortran or IBM XL Fortran
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- `GNU make`_
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- `Autoconf`_
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- `Python`_ > 3.0
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- `Python`_ > 3.7
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- |IRPF90| : Fortran code generator
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- |EZFIO| : Easy Fortran Input/Output library generator
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- |BLAS| and |LAPACK|
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@ -142,6 +142,14 @@ IRPF90
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*IRPF90* is a Fortran code generator for programming using the Implicit Reference
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to Parameters (IRP) method.
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If you have *pip* for Python2, you can do
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.. code:: bash
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python2 -m pip install --user irpf90
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Otherwise,
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* Download the latest version of IRPF90
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here : `<https://gitlab.com/scemama/irpf90/-/archive/v1.7.2/irpf90-v1.7.2.tar.gz>`_ and move
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the downloaded archive in the :file:`${QP_ROOT}/external` directory
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@ -385,3 +393,17 @@ Otherwise,
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* Copy :file:`docopt-0.6.2/docopt.py` in the :file:`${QP_ROOT}/scripts` directory
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resultsFile
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-----------
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*resultsFile* is a Python package to extract data from output files of quantum chemistry
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codes.
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If you have *pip* for Python3, you can do
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.. code:: bash
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python3 -m pip install --user resultsFile
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17
travis/compilation.sh
Executable file
17
travis/compilation.sh
Executable file
@ -0,0 +1,17 @@
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#!/bin/bash
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# Stage 2
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# Extract cache from config stage
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cd ../
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tar -zxf $HOME/cache/config.tgz
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rm $HOME/cache/config.tgz
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# Configure QP2
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cd qp2
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source ./quantum_package.rc
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ninja -j 1 -v
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# Create cache
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cd ..
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tar -zcf $HOME/cache/compil.tgz qp2
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10
travis/configuration.sh
Executable file
10
travis/configuration.sh
Executable file
@ -0,0 +1,10 @@
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#!/bin/bash
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# Stage 1
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# Configure QP2
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./configure --install all --config ./config/travis.cfg
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# Create cache
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cd ../
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tar -zcf $HOME/cache/config.tgz qp2
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17
travis/testing.sh
Executable file
17
travis/testing.sh
Executable file
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#!/bin/bash
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# Stage 3
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# Extract cache from compile stage
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cd ../
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tar -zxf $HOME/cache/compil.tgz
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rm $HOME/cache/compil.tgz
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# Configure QP2
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cd qp2
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source ./quantum_package.rc
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qp_test -a
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