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mirror of https://github.com/QuantumPackage/qp2.git synced 2024-07-21 10:13:26 +02:00

Travis with stages (#128)

* Travis in stages

* Changed ubuntu to bionic

* updated travis scripts
This commit is contained in:
Anthony Scemama 2020-08-24 14:01:56 +02:00 committed by GitHub
parent 7cb492ef3c
commit 6c6070e818
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5 changed files with 84 additions and 7 deletions

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@ -8,7 +8,7 @@
os: linux
dist: trusty
dist: bionic
sudo: false
@ -29,12 +29,23 @@ env:
cache:
directories:
- $HOME/.opam/
- $HOME/cache
language: python
python:
- "2.7"
- "3.7"
stages:
- configuration
- compilation
- testing
jobs:
include:
- stage: configuration
script: travis/configuration.sh
- stage: compilation
script: travis/compilation.sh
- stage: testing
script: travis/testing.sh
script:
- ./configure --install all --config ./config/travis.cfg
- source ./quantum_package.rc ; ninja -j 1 -v
- source ./quantum_package.rc ; qp_test -a

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@ -36,7 +36,7 @@ Requirements
- Fortran compiler : GNU Fortran, Intel Fortran or IBM XL Fortran
- `GNU make`_
- `Autoconf`_
- `Python`_ > 3.0
- `Python`_ > 3.7
- |IRPF90| : Fortran code generator
- |EZFIO| : Easy Fortran Input/Output library generator
- |BLAS| and |LAPACK|
@ -142,6 +142,14 @@ IRPF90
*IRPF90* is a Fortran code generator for programming using the Implicit Reference
to Parameters (IRP) method.
If you have *pip* for Python2, you can do
.. code:: bash
python2 -m pip install --user irpf90
Otherwise,
* Download the latest version of IRPF90
here : `<https://gitlab.com/scemama/irpf90/-/archive/v1.7.2/irpf90-v1.7.2.tar.gz>`_ and move
the downloaded archive in the :file:`${QP_ROOT}/external` directory
@ -385,3 +393,17 @@ Otherwise,
* Copy :file:`docopt-0.6.2/docopt.py` in the :file:`${QP_ROOT}/scripts` directory
resultsFile
-----------
*resultsFile* is a Python package to extract data from output files of quantum chemistry
codes.
If you have *pip* for Python3, you can do
.. code:: bash
python3 -m pip install --user resultsFile

17
travis/compilation.sh Executable file
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@ -0,0 +1,17 @@
#!/bin/bash
# Stage 2
# Extract cache from config stage
cd ../
tar -zxf $HOME/cache/config.tgz
rm $HOME/cache/config.tgz
# Configure QP2
cd qp2
source ./quantum_package.rc
ninja -j 1 -v
# Create cache
cd ..
tar -zcf $HOME/cache/compil.tgz qp2

10
travis/configuration.sh Executable file
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@ -0,0 +1,10 @@
#!/bin/bash
# Stage 1
# Configure QP2
./configure --install all --config ./config/travis.cfg
# Create cache
cd ../
tar -zcf $HOME/cache/config.tgz qp2

17
travis/testing.sh Executable file
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@ -0,0 +1,17 @@
#!/bin/bash
# Stage 3
# Extract cache from compile stage
cd ../
tar -zxf $HOME/cache/compil.tgz
rm $HOME/cache/compil.tgz
# Configure QP2
cd qp2
source ./quantum_package.rc
qp_test -a