mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-10-16 04:31:32 +02:00
Travis with stages (#128)
* Travis in stages * Changed ubuntu to bionic * updated travis scripts
This commit is contained in:
parent
7cb492ef3c
commit
6c6070e818
23
.travis.yml
23
.travis.yml
@ -8,7 +8,7 @@
|
||||
|
||||
os: linux
|
||||
|
||||
dist: trusty
|
||||
dist: bionic
|
||||
|
||||
sudo: false
|
||||
|
||||
@ -29,12 +29,23 @@ env:
|
||||
cache:
|
||||
directories:
|
||||
- $HOME/.opam/
|
||||
- $HOME/cache
|
||||
|
||||
language: python
|
||||
python:
|
||||
- "2.7"
|
||||
- "3.7"
|
||||
|
||||
stages:
|
||||
- configuration
|
||||
- compilation
|
||||
- testing
|
||||
|
||||
jobs:
|
||||
include:
|
||||
- stage: configuration
|
||||
script: travis/configuration.sh
|
||||
- stage: compilation
|
||||
script: travis/compilation.sh
|
||||
- stage: testing
|
||||
script: travis/testing.sh
|
||||
|
||||
script:
|
||||
- ./configure --install all --config ./config/travis.cfg
|
||||
- source ./quantum_package.rc ; ninja -j 1 -v
|
||||
- source ./quantum_package.rc ; qp_test -a
|
||||
|
24
INSTALL.rst
24
INSTALL.rst
@ -36,7 +36,7 @@ Requirements
|
||||
- Fortran compiler : GNU Fortran, Intel Fortran or IBM XL Fortran
|
||||
- `GNU make`_
|
||||
- `Autoconf`_
|
||||
- `Python`_ > 3.0
|
||||
- `Python`_ > 3.7
|
||||
- |IRPF90| : Fortran code generator
|
||||
- |EZFIO| : Easy Fortran Input/Output library generator
|
||||
- |BLAS| and |LAPACK|
|
||||
@ -142,6 +142,14 @@ IRPF90
|
||||
*IRPF90* is a Fortran code generator for programming using the Implicit Reference
|
||||
to Parameters (IRP) method.
|
||||
|
||||
If you have *pip* for Python2, you can do
|
||||
|
||||
.. code:: bash
|
||||
|
||||
python2 -m pip install --user irpf90
|
||||
|
||||
Otherwise,
|
||||
|
||||
* Download the latest version of IRPF90
|
||||
here : `<https://gitlab.com/scemama/irpf90/-/archive/v1.7.2/irpf90-v1.7.2.tar.gz>`_ and move
|
||||
the downloaded archive in the :file:`${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
17
travis/compilation.sh
Executable file
@ -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
10
travis/configuration.sh
Executable file
@ -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
17
travis/testing.sh
Executable file
@ -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
|
||||
|
||||
|
||||
|
||||
|
||||
|
Loading…
Reference in New Issue
Block a user